4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine

C18H17FN4 — CID 112927092

IUPAC4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2F)nc(Nc2ccccc2C)n1
InChIInChI=1S/C18H17FN4/c1-12-7-3-5-9-15(12)22-18-20-13(2)11-17(23-18)21-16-10-6-4-8-14(16)19/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyHAKRCEAQCZSYRT-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.72
Rot. Bonds4

About 4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine

4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112927092) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112927092
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2F)nc(Nc2ccccc2C)n1
InChIInChI=1S/C18H17FN4/c1-12-7-3-5-9-15(12)22-18-20-13(2)11-17(23-18)21-16-10-6-4-8-14(16)19/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyHAKRCEAQCZSYRT-UHFFFAOYSA-N
XLogP4.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929342
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
2-N-tert-butyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924784
4-N-tert-butyl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924663
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929426
methyl 2-[[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112929325
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929358
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915708
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929302
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929390

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine (CID 112927092) is 4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2F)nc(Nc2ccccc2C)n1.
What is the InChIKey of 4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is HAKRCEAQCZSYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-12-7-3-5-9-15(12)22-18-20-13(2)11-17(23-18)21-16-10-6-4-8-14(16)19/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine?
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 308.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112927092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).