4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide

C14H17N5O2 — CID 154738095

IUPAC4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
SMILESCc1ccnc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)n1
InChIInChI=1S/C14H17N5O2/c1-9-3-5-15-12(17-9)14(20)18-10-4-8-21-11(10)13-16-6-7-19(13)2/h3,5-7,10-11H,4,8H2,1-2H3,(H,18,20)/t10-,11-/m0/s1
InChIKeyBRMDUNRCVLJAMZ-QWRGUYRKSA-N
MW287.32 g/mol
LogP0.78
Rot. Bonds3

About 4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide

4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide (PubChem CID 154738095) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
PubChem CID154738095
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
SMILESCc1ccnc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)n1
InChIInChI=1S/C14H17N5O2/c1-9-3-5-15-12(17-9)14(20)18-10-4-8-21-11(10)13-16-6-7-19(13)2/h3,5-7,10-11H,4,8H2,1-2H3,(H,18,20)/t10-,11-/m0/s1
InChIKeyBRMDUNRCVLJAMZ-QWRGUYRKSA-N
XLogP0.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-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

2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
CID 128986079
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide
CID 154736632
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide
CID 128989683
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzodioxole-4-carboxamide
CID 128974107
5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 128973427
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 128986100
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide
CID 128986179
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
3-(furan-2-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128986107
2-(3,5-dimethylpyrazol-1-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986083
3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide
CID 128972203

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide (CID 154738095) is 4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide is Cc1ccnc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)n1.
What is the InChIKey of 4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide?
The InChIKey is BRMDUNRCVLJAMZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-3-5-15-12(17-9)14(20)18-10-4-8-21-11(10)13-16-6-7-19(13)2/h3,5-7,10-11H,4,8H2,1-2H3,(H,18,20)/t10-,11-/m0/s1.
What are the key properties of 4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide?
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 154738095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).