4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine

C15H16N6 — CID 68691254

IUPAC4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1nccc(N2C=CC=NC2)n1
InChIInChI=1S/C15H16N6/c1-11-3-4-12(16)9-13(11)19-15-18-7-5-14(20-15)21-8-2-6-17-10-21/h2-9H,10,16H2,1H3,(H,18,19,20)
InChIKeyGVJNJLUANTXCRI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.47
Rot. Bonds3

About 4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine

4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine (PubChem CID 68691254) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine
PubChem CID68691254
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1nccc(N2C=CC=NC2)n1
InChIInChI=1S/C15H16N6/c1-11-3-4-12(16)9-13(11)19-15-18-7-5-14(20-15)21-8-2-6-17-10-21/h2-9H,10,16H2,1H3,(H,18,19,20)
InChIKeyGVJNJLUANTXCRI-UHFFFAOYSA-N
XLogP2.47
TPSA79.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888275
4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 59198045
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902192
N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897394
3-N-[4-[5-(2-fluoroethoxy)-3-pyridinyl]pyrimidin-2-yl]-4-methylbenzene-1,3-diamine
CID 59487106
3-N-[4-(cyclohexen-1-yl)-6-methyl-1,3,5-triazin-2-yl]-4-methylbenzene-1,3-diamine
CID 123601431
4-[2-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888570
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-2-amine
CID 112898304
1-[4-[2-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888867
N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884524
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
CID 20772068

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine (CID 68691254) is 4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine is Cc1ccc(N)cc1Nc1nccc(N2C=CC=NC2)n1.
What is the InChIKey of 4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine?
The InChIKey is GVJNJLUANTXCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-11-3-4-12(16)9-13(11)19-15-18-7-5-14(20-15)21-8-2-6-17-10-21/h2-9H,10,16H2,1H3,(H,18,19,20).
What are the key properties of 4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine?
4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine has a molecular weight of 280.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 68691254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).