N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide

C17H26N4O3 — CID 91626488

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C17H26N4O3/c1-12-11-13(2)19-16(18-12)24-15-5-3-14(4-6-15)20-17(22)21-7-9-23-10-8-21/h11,14-15H,3-10H2,1-2H3,(H,20,22)
InChIKeyIWAUJDDVQHBAIK-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.83
Rot. Bonds3

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide (PubChem CID 91626488) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide
PubChem CID91626488
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C17H26N4O3/c1-12-11-13(2)19-16(18-12)24-15-5-3-14(4-6-15)20-17(22)21-7-9-23-10-8-21/h11,14-15H,3-10H2,1-2H3,(H,20,22)
InChIKeyIWAUJDDVQHBAIK-UHFFFAOYSA-N
XLogP1.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-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-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide (CID 91626488) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide is Cc1cc(C)nc(OC2CCC(NC(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide?
The InChIKey is IWAUJDDVQHBAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-11-13(2)19-16(18-12)24-15-5-3-14(4-6-15)20-17(22)21-7-9-23-10-8-21/h11,14-15H,3-10H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide is sourced from PubChem (CID 91626488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).