5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine

C17H16N4 — CID 14999849

IUPAC5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2ccc(-c3ccccc3)cc2)c(N)n1
InChIInChI=1S/C17H16N4/c18-16-15(11-20-17(19)21-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H4,18,19,20,21)
InChIKeyUVFCOEHLSTZCHI-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.90
Rot. Bonds3

About 5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine

5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 14999849) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID14999849
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2ccc(-c3ccccc3)cc2)c(N)n1
InChIInChI=1S/C17H16N4/c18-16-15(11-20-17(19)21-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H4,18,19,20,21)
InChIKeyUVFCOEHLSTZCHI-UHFFFAOYSA-N
XLogP2.90
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Msx-122
CID 11687907
Pyrimidine, 5-(p-chlorophenyl)-2,4-diamino-
CID 204821
5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-(4-Chlorophenyl)-4-pyrimidinamine
CID 2735804
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-(4-Phenylphenyl)pyrimidine
CID 817541
5-((3-(Trifluoromethyl)phenyl)methyl)-2,4-pyrimidinediamine
CID 579834
5-(Aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10171676
6-Ethyl-5-{3-[3-(Pyrimidin-5-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71737834
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(2-Carbamimidoylpyrimidin-5-yl)phenyl]pyrimidine-2-carboximidamide
CID 24752324

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine (CID 14999849) is 5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine is Nc1ncc(Cc2ccc(-c3ccccc3)cc2)c(N)n1.
What is the InChIKey of 5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is UVFCOEHLSTZCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c18-16-15(11-20-17(19)21-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H4,18,19,20,21).
What are the key properties of 5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 276.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14999849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).