6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine

C18H19FN6S — CID 10215736

IUPAC6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine
SMILESCC(C)Nc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1
InChIInChI=1S/C18H19FN6S/c1-11(2)22-16-10-17(25-18(20)24-16)23-12-3-4-15(14(19)9-12)26-13-5-7-21-8-6-13/h3-11H,1-2H3,(H4,20,22,23,24,25)
InChIKeyBBBJODLOLKXZOY-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.31
Rot. Bonds6

About 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine

6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine (PubChem CID 10215736) has the molecular formula C18H19FN6S and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine
PubChem CID10215736
Molecular FormulaC18H19FN6S
Molecular Weight370.46 g/mol
Exact Mass370.14
IUPAC Name6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine
SMILESCC(C)Nc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1
InChIInChI=1S/C18H19FN6S/c1-11(2)22-16-10-17(25-18(20)24-16)23-12-3-4-15(14(19)9-12)26-13-5-7-21-8-6-13/h3-11H,1-2H3,(H4,20,22,23,24,25)
InChIKeyBBBJODLOLKXZOY-UHFFFAOYSA-N
XLogP4.31
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine with MolForge

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Related Compounds

Bisanilinopyrimidine, 6l
CID 70702141
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(3-(methylamino)propyl)-
CID 3051459
N-phenyl-6-[(2-pyridinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 668614
N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 15653033
4-(3,4-Difluorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11370077
2-propan-2-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972672
N-(4-methylsulfanylphenyl)-2-propan-2-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972693
N-(4-methylsulfanylphenyl)-2-piperidin-1-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972768
5-bromo-2-N-[4-(methylsulfonimidoyl)phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 59674035
4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine
CID 46225980
2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 44526633
6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 44526636

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine (CID 10215736) is 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine is CC(C)Nc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1.
What is the InChIKey of 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The InChIKey is BBBJODLOLKXZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6S/c1-11(2)22-16-10-17(25-18(20)24-16)23-12-3-4-15(14(19)9-12)26-13-5-7-21-8-6-13/h3-11H,1-2H3,(H4,20,22,23,24,25).
What are the key properties of 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine has a molecular weight of 370.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 10215736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).