2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine

C71H96F4N16S — CID 158526503

IUPAC2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(N)nc1.CC(C)c1ccccn1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(F)c1.CC(C)c1cnc(N)cn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CSc1ncc(C(C)C)cn1
InChIInChI=1S/C9H10F3N.C9H10N2.C8H10FN.C8H12N2S.C8H12N2.C8H11N.C7H11N3.2C7H10N2/c1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-3-4-11-9(5-8)6-10;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-10-7(8)4-9-6;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3;3-5,7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3,(H2,9,10);3-7H,1-2H3;3-5H,1-2H3,(H2,8,10);2*3-6H,1-2H3
InChIKeyHMVSAGBHKLGVKC-UHFFFAOYSA-N
MW1281.72 g/mol
LogP18.34
Rot. Bonds10

About 2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine

2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 158526503) has the molecular formula C71H96F4N16S and a molecular weight of 1281.72 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID158526503
Molecular FormulaC71H96F4N16S
Molecular Weight1281.72 g/mol
Exact Mass1280.77
IUPAC Name2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(N)nc1.CC(C)c1ccccn1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(F)c1.CC(C)c1cnc(N)cn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CSc1ncc(C(C)C)cn1
InChIInChI=1S/C9H10F3N.C9H10N2.C8H10FN.C8H12N2S.C8H12N2.C8H11N.C7H11N3.2C7H10N2/c1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-3-4-11-9(5-8)6-10;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-10-7(8)4-9-6;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3;3-5,7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3,(H2,9,10);3-7H,1-2H3;3-5H,1-2H3,(H2,8,10);2*3-6H,1-2H3
InChIKeyHMVSAGBHKLGVKC-UHFFFAOYSA-N
XLogP18.34
TPSA243.40 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001281.72
LogP ≤ 518.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-(Trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyridin-2-ylamino)pyrido[2,3-b]pyrazin-3-yl)nicotinonitrile
CID 49863890
5-[2-[[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine-3-carbonitrile
CID 142415643
5-[2-[[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carbonitrile
CID 142415648
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 142415649
5-[[4-(1-Azabicyclo[2.2.2]octan-3-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 150207616
3-(1-Azabicyclo[2.2.2]octan-3-ylamino)-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 164611398
2-methylsulfanyl-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972573
US9433622, Dmx-119
CID 78322559
US9433622, Dmx-15
CID 78323831
US9433622, Dmx-24
CID 78324130
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-(6-piperazin-1-yl-pyridin-3-yl)-pyrimidin-4-ylamine
CID 89442794
US20160046618, Example 658
CID 118866144

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine (CID 158526503) is 2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1ccc(N)nc1.CC(C)c1ccccn1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(F)c1.CC(C)c1cnc(N)cn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CSc1ncc(C(C)C)cn1.
What is the InChIKey of 2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is HMVSAGBHKLGVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N.C9H10N2.C8H10FN.C8H12N2S.C8H12N2.C8H11N.C7H11N3.2C7H10N2/c1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-3-4-11-9(5-8)6-10;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-10-7(8)4-9-6;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3;3-5,7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3,(H2,9,10);3-7H,1-2H3;3-5H,1-2H3,(H2,8,10);2*3-6H,1-2H3.
What are the key properties of 2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 1281.72 g/mol, XLogP of 18.34, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propan-2-ylpyridine;2-methylsulfanyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyrazin-2-amine;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158526503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).