4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine

C19H19FN4 — CID 112859762

IUPAC4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCc3ccc(F)cc3)ncn2)c(C)c1
InChIInChI=1S/C19H19FN4/c1-13-3-8-17(14(2)9-13)24-19-10-18(22-12-23-19)21-11-15-4-6-16(20)7-5-15/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyIGAOEPZMKOCDPQ-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.59
Rot. Bonds5

About 4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine

4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112859762) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112859762
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCc3ccc(F)cc3)ncn2)c(C)c1
InChIInChI=1S/C19H19FN4/c1-13-3-8-17(14(2)9-13)24-19-10-18(22-12-23-19)21-11-15-4-6-16(20)7-5-15/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyIGAOEPZMKOCDPQ-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855344
4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860311
4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854964
6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265801
2-[[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112859839
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112860016
6-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112859143
4-N-(2,4-dimethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872941
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859776
6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine (CID 112859762) is 4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(NCc3ccc(F)cc3)ncn2)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is IGAOEPZMKOCDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-13-3-8-17(14(2)9-13)24-19-10-18(22-12-23-19)21-11-15-4-6-16(20)7-5-15/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 322.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112859762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).