N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide

C15H22N4O3 — CID 110128094

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccncn1
InChIInChI=1S/C15H22N4O3/c20-14-11(18-15(21)12-4-5-16-10-17-12)2-1-3-13(14)19-6-8-22-9-7-19/h4-5,10-11,13-14,20H,1-3,6-9H2,(H,18,21)/t11-,13-,14-/m1/s1
InChIKeyLDAXCGQANJRANV-MRVWCRGKSA-N
MW306.37 g/mol
LogP-0.18
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide (PubChem CID 110128094) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide
PubChem CID110128094
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccncn1
InChIInChI=1S/C15H22N4O3/c20-14-11(18-15(21)12-4-5-16-10-17-12)2-1-3-13(14)19-6-8-22-9-7-19/h4-5,10-11,13-14,20H,1-3,6-9H2,(H,18,21)/t11-,13-,14-/m1/s1
InChIKeyLDAXCGQANJRANV-MRVWCRGKSA-N
XLogP-0.18
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide (CID 110128094) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide is O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccncn1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide?
The InChIKey is LDAXCGQANJRANV-MRVWCRGKSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-14-11(18-15(21)12-4-5-16-10-17-12)2-1-3-13(14)19-6-8-22-9-7-19/h4-5,10-11,13-14,20H,1-3,6-9H2,(H,18,21)/t11-,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 110128094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).