N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide

C17H25N3O2 — CID 90634629

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide
SMILESC=CCCC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H25N3O2/c1-4-5-6-16(21)20-14-7-9-15(10-8-14)22-17-18-12(2)11-13(3)19-17/h4,11,14-15H,1,5-10H2,2-3H3,(H,20,21)
InChIKeyHDCNIOVCQYKYST-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.87
Rot. Bonds6

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide (PubChem CID 90634629) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide
PubChem CID90634629
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide
SMILESC=CCCC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H25N3O2/c1-4-5-6-16(21)20-14-7-9-15(10-8-14)22-17-18-12(2)11-13(3)19-17/h4,11,14-15H,1,5-10H2,2-3H3,(H,20,21)
InChIKeyHDCNIOVCQYKYST-UHFFFAOYSA-N
XLogP2.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide 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]pent-4-enamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide (CID 90634629) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide is C=CCCC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide?
The InChIKey is HDCNIOVCQYKYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-5-6-16(21)20-14-7-9-15(10-8-14)22-17-18-12(2)11-13(3)19-17/h4,11,14-15H,1,5-10H2,2-3H3,(H,20,21).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide has a molecular weight of 303.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]pent-4-enamide is sourced from PubChem (CID 90634629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).