6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

C68H63F2N21S3 — CID 158716958

IUPAC6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESC.CCc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1.Nc1nc2c(c(Nc3ccc4c(ccn4-c4ccncc4)c3)n1)CCC2.Nc1nccc(Nc2ccc(Sc3ccncc3)c(F)c2)n1.Nc1nccc(Nc2ccc(Sc3ccncc3)cc2)n1
InChIInChI=1S/C20H18N6.C17H16FN5S.C15H12FN5S.C15H13N5S.CH4/c21-20-24-17-3-1-2-16(17)19(25-20)23-14-4-5-18-13(12-14)8-11-26(18)15-6-9-22-10-7-15;1-2-11-10-16(23-17(19)22-11)21-12-3-4-15(14(18)9-12)24-13-5-7-20-8-6-13;16-12-9-10(20-14-5-8-19-15(17)21-14)1-2-13(12)22-11-3-6-18-7-4-11;16-15-18-10-7-14(20-15)19-11-1-3-12(4-2-11)21-13-5-8-17-9-6-13;/h4-12H,1-3H2,(H3,21,23,24,25);3-10H,2H2,1H3,(H3,19,21,22,23);1-9H,(H3,17,19,20,21);1-10H,(H3,16,18,19,20);1H4
InChIKeyIJKWITWOWSGUGN-UHFFFAOYSA-N
MW1308.60 g/mol
LogP15.15
Rot. Bonds16

About 6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 158716958) has the molecular formula C68H63F2N21S3 and a molecular weight of 1308.60 g/mol. Its IUPAC name is 6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID158716958
Molecular FormulaC68H63F2N21S3
Molecular Weight1308.60 g/mol
Exact Mass1307.47
IUPAC Name6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESC.CCc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1.Nc1nc2c(c(Nc3ccc4c(ccn4-c4ccncc4)c3)n1)CCC2.Nc1nccc(Nc2ccc(Sc3ccncc3)c(F)c2)n1.Nc1nccc(Nc2ccc(Sc3ccncc3)cc2)n1
InChIInChI=1S/C20H18N6.C17H16FN5S.C15H12FN5S.C15H13N5S.CH4/c21-20-24-17-3-1-2-16(17)19(25-20)23-14-4-5-18-13(12-14)8-11-26(18)15-6-9-22-10-7-15;1-2-11-10-16(23-17(19)22-11)21-12-3-4-15(14(18)9-12)24-13-5-7-20-8-6-13;16-12-9-10(20-14-5-8-19-15(17)21-14)1-2-13(12)22-11-3-6-18-7-4-11;16-15-18-10-7-14(20-15)19-11-1-3-12(4-2-11)21-13-5-8-17-9-6-13;/h4-12H,1-3H2,(H3,21,23,24,25);3-10H,2H2,1H3,(H3,19,21,22,23);1-9H,(H3,17,19,20,21);1-10H,(H3,16,18,19,20);1H4
InChIKeyIJKWITWOWSGUGN-UHFFFAOYSA-N
XLogP15.15
TPSA311.81 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001308.60
LogP ≤ 515.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-(2,3-dihydroindol-1-yl)-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
CID 10151224
6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
CID 91455202
2-chloro-4-(trifluoromethyl)pyrimidine;2-(4-methylpyrimidin-2-yl)-7-methylsulfanyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indole;7-methylsulfanyl-1-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 159095909
4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-[4-(2-pyridin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-(pyridin-4-ylmethylsulfanyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-(pyridin-4-ylsulfanylmethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-pyridin-4-ylsulfanyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 161991686
2-chloro-4-(trifluoromethyl)pyrimidine;methane;2-(4-methylpyrimidin-2-yl)-7-methylsulfanyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indole;7-methylsulfanyl-1-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 162175901
4-N-[2,2-difluoro-2-(6-methyl-2-pyridinyl)ethyl]-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine;5-[(E)-ethoxyiminomethyl]-4-N-[1-[(3-fluorophenyl)methyl]indol-5-yl]pyrimidine-4,6-diamine;4-N-[1-[(3-fluorophenyl)methyl]indol-5-yl]-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 172963667
4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 158447914
10-[9-[2-[3,5-Bis[4-(3-phenothiazin-10-ylcarbazol-9-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenothiazine
CID 153482889
5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine
CID 157144069
6-tert-butyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane
CID 158187908
1-benzothiophene;N-butyl-N-propylpyrimidin-2-amine;2-butylpyrimidine;2-(cyclopentylmethyl)pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;dodecakis(2,2-dimethylpropane);3-fluoro-7H-cyclopenta[b]pyridine;1-[(3-fluorophenyl)methyl]pyrrolidine;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;2-pentylpyridine;1-phenylpiperidine
CID 158476330
6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine
CID 158611749

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (CID 158716958) is 6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is C.CCc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1.Nc1nc2c(c(Nc3ccc4c(ccn4-c4ccncc4)c3)n1)CCC2.Nc1nccc(Nc2ccc(Sc3ccncc3)c(F)c2)n1.Nc1nccc(Nc2ccc(Sc3ccncc3)cc2)n1.
What is the InChIKey of 6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is IJKWITWOWSGUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6.C17H16FN5S.C15H12FN5S.C15H13N5S.CH4/c21-20-24-17-3-1-2-16(17)19(25-20)23-14-4-5-18-13(12-14)8-11-26(18)15-6-9-22-10-7-15;1-2-11-10-16(23-17(19)22-11)21-12-3-4-15(14(18)9-12)24-13-5-7-20-8-6-13;16-12-9-10(20-14-5-8-19-15(17)21-14)1-2-13(12)22-11-3-6-18-7-4-11;16-15-18-10-7-14(20-15)19-11-1-3-12(4-2-11)21-13-5-8-17-9-6-13;/h4-12H,1-3H2,(H3,21,23,24,25);3-10H,2H2,1H3,(H3,19,21,22,23);1-9H,(H3,17,19,20,21);1-10H,(H3,16,18,19,20);1H4.
What are the key properties of 6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 1308.60 g/mol, XLogP of 15.15, 16 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158716958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).