N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine

C16H17N5 — CID 5329443

IUPACN-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3C)n2)c1
InChIInChI=1S/C16H17N5/c1-11-8-12(2)10-14(9-11)19-16-18-5-4-15(20-16)21-7-6-17-13(21)3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyQPFWVFPJLHQHCT-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.33
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 5329443) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine
PubChem CID5329443
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3C)n2)c1
InChIInChI=1S/C16H17N5/c1-11-8-12(2)10-14(9-11)19-16-18-5-4-15(20-16)21-7-6-17-13(21)3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyQPFWVFPJLHQHCT-UHFFFAOYSA-N
XLogP3.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine (CID 5329443) is N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-n3ccnc3C)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is QPFWVFPJLHQHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-8-12(2)10-14(9-11)19-16-18-5-4-15(20-16)21-7-6-17-13(21)3/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 279.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(2-methylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5329443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).