6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

C19H19FN4 — CID 112872105

IUPAC6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2F)cc(NC(C)c2ccccc2)n1
InChIInChI=1S/C19H19FN4/c1-13(15-8-4-3-5-9-15)21-18-12-19(23-14(2)22-18)24-17-11-7-6-10-16(17)20/h3-13H,1-2H3,(H2,21,22,23,24)
InChIKeyRZYIUYQWLGNMRX-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.84
Rot. Bonds5

About 6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112872105) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112872105
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2F)cc(NC(C)c2ccccc2)n1
InChIInChI=1S/C19H19FN4/c1-13(15-8-4-3-5-9-15)21-18-12-19(23-14(2)22-18)24-17-11-7-6-10-16(17)20/h3-13H,1-2H3,(H2,21,22,23,24)
InChIKeyRZYIUYQWLGNMRX-UHFFFAOYSA-N
XLogP4.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872117
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 154882758
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867661
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (CID 112872105) is 6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is Cc1nc(Nc2ccccc2F)cc(NC(C)c2ccccc2)n1.
What is the InChIKey of 6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is RZYIUYQWLGNMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-13(15-8-4-3-5-9-15)21-18-12-19(23-14(2)22-18)24-17-11-7-6-10-16(17)20/h3-13H,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 322.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112872105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).