N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C19H27N5O2 — CID 155964502

IUPACN-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(C)(C)CNC(=O)c1cn2cccnc2n1
InChIInChI=1S/C19H27N5O2/c1-4-7-16(25)24-11-5-8-15(24)19(2,3)13-21-17(26)14-12-23-10-6-9-20-18(23)22-14/h6,9-10,12,15H,4-5,7-8,11,13H2,1-3H3,(H,21,26)
InChIKeyDXXKFQLKJYNCGR-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 155964502) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID155964502
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(C)(C)CNC(=O)c1cn2cccnc2n1
InChIInChI=1S/C19H27N5O2/c1-4-7-16(25)24-11-5-8-15(24)19(2,3)13-21-17(26)14-12-23-10-6-9-20-18(23)22-14/h6,9-10,12,15H,4-5,7-8,11,13H2,1-3H3,(H,21,26)
InChIKeyDXXKFQLKJYNCGR-UHFFFAOYSA-N
XLogP2.28
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 99712859
N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111480679
N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111460186
(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371770
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 146038483
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 124695711
tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate
CID 95621544
imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603261
3-[[(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)azepan-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 95830797
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 125152678
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95767978
N-[(2,5-dimethylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74247991

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 155964502) is N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide is CCCC(=O)N1CCCC1C(C)(C)CNC(=O)c1cn2cccnc2n1.
What is the InChIKey of N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is DXXKFQLKJYNCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-7-16(25)24-11-5-8-15(24)19(2,3)13-21-17(26)14-12-23-10-6-9-20-18(23)22-14/h6,9-10,12,15H,4-5,7-8,11,13H2,1-3H3,(H,21,26).
What are the key properties of N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 155964502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).