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

C15H14ClN5 — CID 5329442

IUPAC4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3Cl)n2)c1
InChIInChI=1S/C15H14ClN5/c1-10-7-11(2)9-12(8-10)19-15-18-4-3-13(20-15)21-6-5-17-14(21)16/h3-9H,1-2H3,(H,18,19,20)
InChIKeyGIICGIVMEFQZHH-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.68
Rot. Bonds3

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

4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 5329442) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID5329442
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3Cl)n2)c1
InChIInChI=1S/C15H14ClN5/c1-10-7-11(2)9-12(8-10)19-15-18-4-3-13(20-15)21-6-5-17-14(21)16/h3-9H,1-2H3,(H,18,19,20)
InChIKeyGIICGIVMEFQZHH-UHFFFAOYSA-N
XLogP3.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine (CID 5329442) is 4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-n3ccnc3Cl)n2)c1.
What is the InChIKey of 4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is GIICGIVMEFQZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-10-7-11(2)9-12(8-10)19-15-18-4-3-13(20-15)21-6-5-17-14(21)16/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 299.77 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 5329442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).