N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide

C11H16N4O3 — CID 91785024

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)N[C@@H]2CCOC[C@H]2O)cn1
InChIInChI=1S/C11H16N4O3/c1-12-11-13-4-7(5-14-11)10(17)15-8-2-3-18-6-9(8)16/h4-5,8-9,16H,2-3,6H2,1H3,(H,15,17)(H,12,13,14)/t8-,9-/m1/s1
InChIKeyOBBZXVWWBMRWGL-RKDXNWHRSA-N
MW252.27 g/mol
LogP-0.60
Rot. Bonds3

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide (PubChem CID 91785024) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide
PubChem CID91785024
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)N[C@@H]2CCOC[C@H]2O)cn1
InChIInChI=1S/C11H16N4O3/c1-12-11-13-4-7(5-14-11)10(17)15-8-2-3-18-6-9(8)16/h4-5,8-9,16H,2-3,6H2,1H3,(H,15,17)(H,12,13,14)/t8-,9-/m1/s1
InChIKeyOBBZXVWWBMRWGL-RKDXNWHRSA-N
XLogP-0.60
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide (CID 91785024) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide is CNc1ncc(C(=O)N[C@@H]2CCOC[C@H]2O)cn1.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide?
The InChIKey is OBBZXVWWBMRWGL-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-12-11-13-4-7(5-14-11)10(17)15-8-2-3-18-6-9(8)16/h4-5,8-9,16H,2-3,6H2,1H3,(H,15,17)(H,12,13,14)/t8-,9-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(methylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 91785024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).