N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine

C19H18N6O — CID 44602689

IUPACN-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine
SMILESCOc1ccc(N(C)c2nccc(-c3c(C)nc4ncccn34)n2)cc1
InChIInChI=1S/C19H18N6O/c1-13-17(25-12-4-10-20-19(25)22-13)16-9-11-21-18(23-16)24(2)14-5-7-15(26-3)8-6-14/h4-12H,1-3H3
InChIKeyLDHXCDMOCLMKIL-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.27
Rot. Bonds4

About N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine

N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine (PubChem CID 44602689) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine
PubChem CID44602689
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine
SMILESCOc1ccc(N(C)c2nccc(-c3c(C)nc4ncccn34)n2)cc1
InChIInChI=1S/C19H18N6O/c1-13-17(25-12-4-10-20-19(25)22-13)16-9-11-21-18(23-16)24(2)14-5-7-15(26-3)8-6-14/h4-12H,1-3H3
InChIKeyLDHXCDMOCLMKIL-UHFFFAOYSA-N
XLogP3.27
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine (CID 44602689) is N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine is COc1ccc(N(C)c2nccc(-c3c(C)nc4ncccn34)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine?
The InChIKey is LDHXCDMOCLMKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-17(25-12-4-10-20-19(25)22-13)16-9-11-21-18(23-16)24(2)14-5-7-15(26-3)8-6-14/h4-12H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine?
N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine has a molecular weight of 346.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 44602689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).