6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine

C18H17FN4 — CID 112877001

IUPAC6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(F)c2)cc(Nc2ccccc2C)n1
InChIInChI=1S/C18H17FN4/c1-12-6-3-4-9-16(12)23-18-11-17(20-13(2)21-18)22-15-8-5-7-14(19)10-15/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyFGZGJOGSVFFKLK-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.72
Rot. Bonds4

About 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine

6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112877001) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112877001
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(F)c2)cc(Nc2ccccc2C)n1
InChIInChI=1S/C18H17FN4/c1-12-6-3-4-9-16(12)23-18-11-17(20-13(2)21-18)22-15-8-5-7-14(19)10-15/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyFGZGJOGSVFFKLK-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-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878677
6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878300
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878564
4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871761
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877722
N-[4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878807
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112876996
4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193335

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (CID 112877001) is 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is Cc1nc(Nc2cccc(F)c2)cc(Nc2ccccc2C)n1.
What is the InChIKey of 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is FGZGJOGSVFFKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-12-6-3-4-9-16(12)23-18-11-17(20-13(2)21-18)22-15-8-5-7-14(19)10-15/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-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 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112877001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).