4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine

C16H15ClN4 — CID 68984514

IUPAC4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2ccc(Cl)cc2)C=C(c2ccccc2)N1
InChIInChI=1S/C16H15ClN4/c17-13-8-6-12(7-9-13)16(19)10-14(20-15(18)21-16)11-4-2-1-3-5-11/h1-10H,19H2,(H3,18,20,21)
InChIKeyLJEPBPAIZVOJQJ-UHFFFAOYSA-N
MW298.78 g/mol
LogP2.41
Rot. Bonds2

About 4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine

4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine (PubChem CID 68984514) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine
PubChem CID68984514
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2ccc(Cl)cc2)C=C(c2ccccc2)N1
InChIInChI=1S/C16H15ClN4/c17-13-8-6-12(7-9-13)16(19)10-14(20-15(18)21-16)11-4-2-1-3-5-11/h1-10H,19H2,(H3,18,20,21)
InChIKeyLJEPBPAIZVOJQJ-UHFFFAOYSA-N
XLogP2.41
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine (CID 68984514) is 4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine is NC1=NC(N)(c2ccc(Cl)cc2)C=C(c2ccccc2)N1.
What is the InChIKey of 4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine?
The InChIKey is LJEPBPAIZVOJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c17-13-8-6-12(7-9-13)16(19)10-14(20-15(18)21-16)11-4-2-1-3-5-11/h1-10H,19H2,(H3,18,20,21).
What are the key properties of 4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine?
4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine has a molecular weight of 298.78 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-phenyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 68984514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).