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

C19H19FN4 — CID 112872493

IUPAC6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCc3ccc(F)cc3)nc(C)n2)cc1
InChIInChI=1S/C19H19FN4/c1-13-3-9-17(10-4-13)24-19-11-18(22-14(2)23-19)21-12-15-5-7-16(20)8-6-15/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyPYEWHZQNVAZZLL-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.59
Rot. Bonds5

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

6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112872493) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112872493
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCc3ccc(F)cc3)nc(C)n2)cc1
InChIInChI=1S/C19H19FN4/c1-13-3-9-17(10-4-13)24-19-11-18(22-14(2)23-19)21-12-15-5-7-16(20)8-6-15/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyPYEWHZQNVAZZLL-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-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112871574
4-N-(4-bromophenyl)-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871986
2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112871962
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
4-[[2-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113193226
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877576
4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872510
ethyl 4-[[2-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112872020
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112872572
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
4-N-tert-butyl-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875932

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (CID 112872493) is 6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(NCc3ccc(F)cc3)nc(C)n2)cc1.
What is the InChIKey of 6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is PYEWHZQNVAZZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-13-3-9-17(10-4-13)24-19-11-18(22-14(2)23-19)21-12-15-5-7-16(20)8-6-15/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)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 6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112872493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).