4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine

C15H16N6 — CID 22544226

IUPAC4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
SMILESCCc1ccccc1Nc1ncnc(-n2ccnc2)c1N
InChIInChI=1S/C15H16N6/c1-2-11-5-3-4-6-12(11)20-14-13(16)15(19-9-18-14)21-8-7-17-10-21/h3-10H,2,16H2,1H3,(H,18,19,20)
InChIKeyXSOIPZZKVCFXCA-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.55
Rot. Bonds4

About 4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine

4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine (PubChem CID 22544226) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
PubChem CID22544226
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
SMILESCCc1ccccc1Nc1ncnc(-n2ccnc2)c1N
InChIInChI=1S/C15H16N6/c1-2-11-5-3-4-6-12(11)20-14-13(16)15(19-9-18-14)21-8-7-17-10-21/h3-10H,2,16H2,1H3,(H,18,19,20)
InChIKeyXSOIPZZKVCFXCA-UHFFFAOYSA-N
XLogP2.55
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azepan-1-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544049
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033
4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544200
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540634
6-imidazol-1-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148557
6-N-(3-chloro-4-methylphenyl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544026
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22542025
4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
CID 19146187
4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544122

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine (CID 22544226) is 4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine is CCc1ccccc1Nc1ncnc(-n2ccnc2)c1N.
What is the InChIKey of 4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is XSOIPZZKVCFXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-2-11-5-3-4-6-12(11)20-14-13(16)15(19-9-18-14)21-8-7-17-10-21/h3-10H,2,16H2,1H3,(H,18,19,20).
What are the key properties of 4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine?
4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 280.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 22544226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).