N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide

C17H18N4O2 — CID 57400419

IUPACN-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(C)nc3ncc(C)cn23)c1
InChIInChI=1S/C17H18N4O2/c1-11-8-19-17-20-12(2)15(21(17)10-11)16(22)18-9-13-5-4-6-14(7-13)23-3/h4-8,10H,9H2,1-3H3,(H,18,22)
InChIKeyJDEIJCGZNFDMEF-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.28
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide

N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 57400419) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID57400419
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(C)nc3ncc(C)cn23)c1
InChIInChI=1S/C17H18N4O2/c1-11-8-19-17-20-12(2)15(21(17)10-11)16(22)18-9-13-5-4-6-14(7-13)23-3/h4-8,10H,9H2,1-3H3,(H,18,22)
InChIKeyJDEIJCGZNFDMEF-UHFFFAOYSA-N
XLogP2.28
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 57400419) is N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide is COc1cccc(CNC(=O)c2c(C)nc3ncc(C)cn23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JDEIJCGZNFDMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-8-19-17-20-12(2)15(21(17)10-11)16(22)18-9-13-5-4-6-14(7-13)23-3/h4-8,10H,9H2,1-3H3,(H,18,22).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 57400419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).