1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide

C17H22N6O3 — CID 95102243

IUPAC1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cn(-c2cc(N3CCOCC3)ncn2)cn1
InChIInChI=1S/C17H22N6O3/c24-17(18-9-13-2-1-5-26-13)14-10-23(12-21-14)16-8-15(19-11-20-16)22-3-6-25-7-4-22/h8,10-13H,1-7,9H2,(H,18,24)/t13-/m0/s1
InChIKeyUODQVKZBXVQQOM-ZDUSSCGKSA-N
MW358.40 g/mol
LogP0.41
Rot. Bonds5

About 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide

1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide (PubChem CID 95102243) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
PubChem CID95102243
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cn(-c2cc(N3CCOCC3)ncn2)cn1
InChIInChI=1S/C17H22N6O3/c24-17(18-9-13-2-1-5-26-13)14-10-23(12-21-14)16-8-15(19-11-20-16)22-3-6-25-7-4-22/h8,10-13H,1-7,9H2,(H,18,24)/t13-/m0/s1
InChIKeyUODQVKZBXVQQOM-ZDUSSCGKSA-N
XLogP0.41
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
1-(6-methyl-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 1491434
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343918
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95099061
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343932
N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104422
N-(oxolan-2-ylmethyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344010
6-methyl-4-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 92745643
6-methyl-4-morpholin-4-yl-N-(oxolan-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 45106699
N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892475
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165

Frequently Asked Questions

What is the IUPAC name of 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide (CID 95102243) is 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide is O=C(NC[C@@H]1CCCO1)c1cn(-c2cc(N3CCOCC3)ncn2)cn1.
What is the InChIKey of 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide?
The InChIKey is UODQVKZBXVQQOM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6O3/c24-17(18-9-13-2-1-5-26-13)14-10-23(12-21-14)16-8-15(19-11-20-16)22-3-6-25-7-4-22/h8,10-13H,1-7,9H2,(H,18,24)/t13-/m0/s1.
What are the key properties of 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide?
1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 95102243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).