5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine

C18H17FN4OS — CID 17311136

IUPAC5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(Nc2cccc(SC)c2)ncc1F
InChIInChI=1S/C18H17FN4OS/c1-24-16-9-4-3-8-15(16)22-17-14(19)11-20-18(23-17)21-12-6-5-7-13(10-12)25-2/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyIVZWSUIKSIXQKV-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.83
Rot. Bonds6

About 5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine

5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 17311136) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID17311136
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(Nc2cccc(SC)c2)ncc1F
InChIInChI=1S/C18H17FN4OS/c1-24-16-9-4-3-8-15(16)22-17-14(19)11-20-18(23-17)21-12-6-5-7-13(10-12)25-2/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyIVZWSUIKSIXQKV-UHFFFAOYSA-N
XLogP4.83
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
CID 89188920
2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 4542663
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423
5-fluoro-2-N-(2-methoxy-5-nitrophenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 71014659
2-N,4-N-bis(2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;2-N,4-N-bis(2,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine;2-N,4-N-bis(3,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine;5-fluoro-2-N,4-N-bis(2-methoxyphenyl)pyrimidine-2,4-diamine;5-fluoro-2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine;5-fluoro-2-N,4-N-bis(3-methylphenyl)pyrimidine-2,4-diamine;5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 160912926
5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
CID 66759549
N-[2-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanesulfonamide
CID 90864546
4-N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80804520
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
4-N-(6,7-difluoroquinolin-3-yl)-2-N-(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 176696628

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine (CID 17311136) is 5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine is COc1ccccc1Nc1nc(Nc2cccc(SC)c2)ncc1F.
What is the InChIKey of 5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is IVZWSUIKSIXQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-24-16-9-4-3-8-15(16)22-17-14(19)11-20-18(23-17)21-12-6-5-7-13(10-12)25-2/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 356.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 17311136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).