1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine

C17H16N4 — CID 108778175

IUPAC1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2Nc2ncccn2)cc1
InChIInChI=1S/C17H16N4/c1-13-7-9-14(10-8-13)20-15-5-2-3-6-16(15)21-17-18-11-4-12-19-17/h2-12,20H,1H3,(H,18,19,21)
InChIKeyPIRJUNTXFCWYHA-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.27
Rot. Bonds4

About 1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine

1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine (PubChem CID 108778175) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine
PubChem CID108778175
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2Nc2ncccn2)cc1
InChIInChI=1S/C17H16N4/c1-13-7-9-14(10-8-13)20-15-5-2-3-6-16(15)21-17-18-11-4-12-19-17/h2-12,20H,1H3,(H,18,19,21)
InChIKeyPIRJUNTXFCWYHA-UHFFFAOYSA-N
XLogP4.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylanilino)phenyl]pyridine-2-carboxamide
CID 108745005
N-(4-methylphenyl)-2-(pyridin-2-yldiazenyl)aniline
CID 15443301
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134
2-(4-methylanilino)cyclohepta-2,4,6-trien-1-one
CID 658410
bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
CID 158640919
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
5-N-(4-methylphenyl)quinoline-5,8-diamine
CID 43449531
2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 20976948
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162
1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine
CID 123214519
1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine
CID 146472249
N-[2-(aminomethyl)phenyl]pyrimidin-2-amine
CID 63760524

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine?
The IUPAC name of 1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine (CID 108778175) is 1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine is Cc1ccc(Nc2ccccc2Nc2ncccn2)cc1.
What is the InChIKey of 1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine?
The InChIKey is PIRJUNTXFCWYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-13-7-9-14(10-8-13)20-15-5-2-3-6-16(15)21-17-18-11-4-12-19-17/h2-12,20H,1H3,(H,18,19,21).
What are the key properties of 1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine?
1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine has a molecular weight of 276.34 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methylphenyl)-2-N-pyrimidin-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 108778175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).