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

C18H19N5 — CID 5329441

IUPAC4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3C3CC3)n2)c1
InChIInChI=1S/C18H19N5/c1-12-9-13(2)11-15(10-12)21-18-20-6-5-16(22-18)23-8-7-19-17(23)14-3-4-14/h5-11,14H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyRNVBUDDBEAXNJS-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.90
Rot. Bonds4

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

4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 5329441) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID5329441
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3C3CC3)n2)c1
InChIInChI=1S/C18H19N5/c1-12-9-13(2)11-15(10-12)21-18-20-6-5-16(22-18)23-8-7-19-17(23)14-3-4-14/h5-11,14H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyRNVBUDDBEAXNJS-UHFFFAOYSA-N
XLogP3.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine (CID 5329441) is 4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-n3ccnc3C3CC3)n2)c1.
What is the InChIKey of 4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is RNVBUDDBEAXNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-12-9-13(2)11-15(10-12)21-18-20-6-5-16(22-18)23-8-7-19-17(23)14-3-4-14/h5-11,14H,3-4H2,1-2H3,(H,20,21,22).
What are the key properties of 4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 305.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylimidazol-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 5329441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).