4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide

C14H22N4O2 — CID 66329765

IUPAC4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCC(C)Oc1cc(NC2CCC(C(N)=O)CC2)ncn1
InChIInChI=1S/C14H22N4O2/c1-9(2)20-13-7-12(16-8-17-13)18-11-5-3-10(4-6-11)14(15)19/h7-11H,3-6H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyIHLSAAYMRPEERT-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.72
Rot. Bonds5

About 4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide

4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 66329765) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID66329765
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCC(C)Oc1cc(NC2CCC(C(N)=O)CC2)ncn1
InChIInChI=1S/C14H22N4O2/c1-9(2)20-13-7-12(16-8-17-13)18-11-5-3-10(4-6-11)14(15)19/h7-11H,3-6H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyIHLSAAYMRPEERT-UHFFFAOYSA-N
XLogP1.72
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-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 4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide (CID 66329765) is 4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide is CC(C)Oc1cc(NC2CCC(C(N)=O)CC2)ncn1.
What is the InChIKey of 4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is IHLSAAYMRPEERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)20-13-7-12(16-8-17-13)18-11-5-3-10(4-6-11)14(15)19/h7-11H,3-6H2,1-2H3,(H2,15,19)(H,16,17,18).
What are the key properties of 4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 66329765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).