2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine

C130H130F2N30OS — CID 158361738

IUPAC2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine
SMILESCC(C)c1cnc(-c2ccc(C#N)cc2)nc1.CC(C)c1cnc(-c2ccc(F)c(F)c2)nc1.CC(C)c1cnc(-c2ccc3ncsc3c2)nc1.CC(C)c1cnc(-c2cccc(C#N)c2)nc1.CC(C)c1cnc(-c2cccc(C(N)=O)c2)nc1.CC(C)c1cnc(-c2ccccc2C#N)nc1.CC(C)c1cnc(-c2ccccn2)nc1.CC(C)c1cnc(-c2cccnc2)nc1.CC(C)c1cnc(-c2ccncc2)nc1.CC(C)c1cnc(-c2cncnc2)nc1
InChIInChI=1S/C14H15N3O.C14H13N3S.3C14H13N3.C13H12F2N2.3C12H13N3.C11H12N4/c1-9(2)12-7-16-14(17-8-12)11-5-3-4-10(6-11)13(15)18;1-9(2)11-6-15-14(16-7-11)10-3-4-12-13(5-10)18-8-17-12;1-10(2)13-8-16-14(17-9-13)12-5-3-11(7-15)4-6-12;1-10(2)13-8-16-14(17-9-13)12-5-3-4-11(6-12)7-15;1-10(2)12-8-16-14(17-9-12)13-6-4-3-5-11(13)7-15;1-8(2)10-6-16-13(17-7-10)9-3-4-11(14)12(15)5-9;1-9(2)11-7-14-12(15-8-11)10-3-5-13-6-4-10;1-9(2)11-7-14-12(15-8-11)10-4-3-5-13-6-10;1-9(2)10-7-14-12(15-8-10)11-5-3-4-6-13-11;1-8(2)9-5-14-11(15-6-9)10-3-12-7-13-4-10/h3-9H,1-2H3,(H2,15,18);3-9H,1-2H3;3*3-6,8-10H,1-2H3;3-8H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3
InChIKeyGTNZWSGFJLNSMP-UHFFFAOYSA-N
MW2198.74 g/mol
LogP29.25
Rot. Bonds21

About 2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine

2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine (PubChem CID 158361738) has the molecular formula C130H130F2N30OS and a molecular weight of 2198.74 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine
PubChem CID158361738
Molecular FormulaC130H130F2N30OS
Molecular Weight2198.74 g/mol
Exact Mass2197.07
IUPAC Name2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine
SMILESCC(C)c1cnc(-c2ccc(C#N)cc2)nc1.CC(C)c1cnc(-c2ccc(F)c(F)c2)nc1.CC(C)c1cnc(-c2ccc3ncsc3c2)nc1.CC(C)c1cnc(-c2cccc(C#N)c2)nc1.CC(C)c1cnc(-c2cccc(C(N)=O)c2)nc1.CC(C)c1cnc(-c2ccccc2C#N)nc1.CC(C)c1cnc(-c2ccccn2)nc1.CC(C)c1cnc(-c2cccnc2)nc1.CC(C)c1cnc(-c2ccncc2)nc1.CC(C)c1cnc(-c2cncnc2)nc1
InChIInChI=1S/C14H15N3O.C14H13N3S.3C14H13N3.C13H12F2N2.3C12H13N3.C11H12N4/c1-9(2)12-7-16-14(17-8-12)11-5-3-4-10(6-11)13(15)18;1-9(2)11-6-15-14(16-7-11)10-3-4-12-13(5-10)18-8-17-12;1-10(2)13-8-16-14(17-9-13)12-5-3-11(7-15)4-6-12;1-10(2)13-8-16-14(17-9-13)12-5-3-4-11(6-12)7-15;1-10(2)12-8-16-14(17-9-12)13-6-4-3-5-11(13)7-15;1-8(2)10-6-16-13(17-7-10)9-3-4-11(14)12(15)5-9;1-9(2)11-7-14-12(15-8-11)10-3-5-13-6-4-10;1-9(2)11-7-14-12(15-8-11)10-4-3-5-13-6-10;1-9(2)10-7-14-12(15-8-10)11-5-3-4-6-13-11;1-8(2)9-5-14-11(15-6-9)10-3-12-7-13-4-10/h3-9H,1-2H3,(H2,15,18);3-9H,1-2H3;3*3-6,8-10H,1-2H3;3-8H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3
InChIKeyGTNZWSGFJLNSMP-UHFFFAOYSA-N
XLogP29.25
TPSA449.60 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.74
LogP ≤ 529.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Analyze 2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-3-[2-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 58829778
[7-(6-Fluoro-1,3-benzothiazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 89487934
4-[2-[2-(1,3-Benzothiazol-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;4-[2-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]pyrimidin-4-yl]benzamide
CID 159335723
(3R)-4-(3,5-difluorophenyl)-3-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-2-(4-pyridin-4-ylpiperazin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]butanamide
CID 167342805
(3S)-4-(3,5-difluorophenyl)-3-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-2-(4-pyridin-4-ylpiperazin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]butanamide
CID 167342863
Bis[2-(4-ethylpiperazin-1-yl)-6-[[5-fluoro-4-(2-methyl-1,3-benzothiazol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
CID 169073882
2-[6-[[4-[2-(Dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-1-(4-ethylpiperazin-1-yl)hexadecan-1-one
CID 172399039
2-[6-[[4-[2-(Diethylamino)-1,3-benzothiazol-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-1-(4-ethylpiperazin-1-yl)hexadecan-1-one
CID 172399042
2-[6-[[4-(1,3-Benzothiazol-6-yl)-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-1-(4-ethylpiperazin-1-yl)hexadecan-1-one
CID 172399049
2-(3,4-Difluorophenyl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine
CID 158453687
5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one
CID 159700329
N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 162239111

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine?
The IUPAC name of 2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine (CID 158361738) is 2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine is CC(C)c1cnc(-c2ccc(C#N)cc2)nc1.CC(C)c1cnc(-c2ccc(F)c(F)c2)nc1.CC(C)c1cnc(-c2ccc3ncsc3c2)nc1.CC(C)c1cnc(-c2cccc(C#N)c2)nc1.CC(C)c1cnc(-c2cccc(C(N)=O)c2)nc1.CC(C)c1cnc(-c2ccccc2C#N)nc1.CC(C)c1cnc(-c2ccccn2)nc1.CC(C)c1cnc(-c2cccnc2)nc1.CC(C)c1cnc(-c2ccncc2)nc1.CC(C)c1cnc(-c2cncnc2)nc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine?
The InChIKey is GTNZWSGFJLNSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.C14H13N3S.3C14H13N3.C13H12F2N2.3C12H13N3.C11H12N4/c1-9(2)12-7-16-14(17-8-12)11-5-3-4-10(6-11)13(15)18;1-9(2)11-6-15-14(16-7-11)10-3-4-12-13(5-10)18-8-17-12;1-10(2)13-8-16-14(17-9-13)12-5-3-11(7-15)4-6-12;1-10(2)13-8-16-14(17-9-13)12-5-3-4-11(6-12)7-15;1-10(2)12-8-16-14(17-9-12)13-6-4-3-5-11(13)7-15;1-8(2)10-6-16-13(17-7-10)9-3-4-11(14)12(15)5-9;1-9(2)11-7-14-12(15-8-11)10-3-5-13-6-4-10;1-9(2)11-7-14-12(15-8-11)10-4-3-5-13-6-10;1-9(2)10-7-14-12(15-8-10)11-5-3-4-6-13-11;1-8(2)9-5-14-11(15-6-9)10-3-12-7-13-4-10/h3-9H,1-2H3,(H2,15,18);3-9H,1-2H3;3*3-6,8-10H,1-2H3;3-8H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine?
2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine has a molecular weight of 2198.74 g/mol, XLogP of 29.25, 21 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-propan-2-ylpyrimidine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;4-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine is sourced from PubChem (CID 158361738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).