N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide

C16H16N4O — CID 29181988

IUPACN-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H16N4O/c1-12-14(20-10-6-9-17-16(20)18-12)15(21)19(2)11-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3
InChIKeyFDWJUPFIPBYCIV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.31
Rot. Bonds3

About N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide

N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 29181988) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID29181988
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H16N4O/c1-12-14(20-10-6-9-17-16(20)18-12)15(21)19(2)11-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3
InChIKeyFDWJUPFIPBYCIV-UHFFFAOYSA-N
XLogP2.31
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110851132
4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72916751
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 110691862
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 91763615
N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26394218
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
CID 68805700
N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95553938
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 29181988) is N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide is Cc1nc2ncccn2c1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FDWJUPFIPBYCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-12-14(20-10-6-9-17-16(20)18-12)15(21)19(2)11-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3.
What are the key properties of N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 29181988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).