2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine

C18H20N4O — CID 53301186

IUPAC2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
SMILESCOc1ccc(Nc2c(C3CC3)nc3nc(C)cc(C)n23)cc1
InChIInChI=1S/C18H20N4O/c1-11-10-12(2)22-17(16(13-4-5-13)21-18(22)19-11)20-14-6-8-15(23-3)9-7-14/h6-10,13,20H,4-5H2,1-3H3
InChIKeyTXQPXKOJSXSGDC-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.98
Rot. Bonds4

About 2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine

2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 53301186) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID53301186
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
SMILESCOc1ccc(Nc2c(C3CC3)nc3nc(C)cc(C)n23)cc1
InChIInChI=1S/C18H20N4O/c1-11-10-12(2)22-17(16(13-4-5-13)21-18(22)19-11)20-14-6-8-15(23-3)9-7-14/h6-10,13,20H,4-5H2,1-3H3
InChIKeyTXQPXKOJSXSGDC-UHFFFAOYSA-N
XLogP3.98
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of 2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine (CID 53301186) is 2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for 2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine is COc1ccc(Nc2c(C3CC3)nc3nc(C)cc(C)n23)cc1.
What is the InChIKey of 2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is TXQPXKOJSXSGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11-10-12(2)22-17(16(13-4-5-13)21-18(22)19-11)20-14-6-8-15(23-3)9-7-14/h6-10,13,20H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine?
2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 308.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 53301186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).