N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide

C14H24N4O2 — CID 69492524

IUPACN-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
SMILESCC1=NCCCN1C1CCC(C(=O)NCC(N)=O)CC1
InChIInChI=1S/C14H24N4O2/c1-10-16-7-2-8-18(10)12-5-3-11(4-6-12)14(20)17-9-13(15)19/h11-12H,2-9H2,1H3,(H2,15,19)(H,17,20)
InChIKeyGQJYJZZXJJETQI-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.27
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide

N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 69492524) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
PubChem CID69492524
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
SMILESCC1=NCCCN1C1CCC(C(=O)NCC(N)=O)CC1
InChIInChI=1S/C14H24N4O2/c1-10-16-7-2-8-18(10)12-5-3-11(4-6-12)14(20)17-9-13(15)19/h11-12H,2-9H2,1H3,(H2,15,19)(H,17,20)
InChIKeyGQJYJZZXJJETQI-UHFFFAOYSA-N
XLogP0.27
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)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 N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide (CID 69492524) is N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide is CC1=NCCCN1C1CCC(C(=O)NCC(N)=O)CC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is GQJYJZZXJJETQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-16-7-2-8-18(10)12-5-3-11(4-6-12)14(20)17-9-13(15)19/h11-12H,2-9H2,1H3,(H2,15,19)(H,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 69492524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).