2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one

C13H19N3O2 — CID 136696628

IUPAC2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H19N3O2/c1-2-18-10-5-9(6-10)14-11-7-12(17)16-13(15-11)8-3-4-8/h7-10H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeySNZBABUXBWHPGM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds5

About 2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136696628) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136696628
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H19N3O2/c1-2-18-10-5-9(6-10)14-11-7-12(17)16-13(15-11)8-3-4-8/h7-10H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeySNZBABUXBWHPGM-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586392
4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586546
4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586547
4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136569055
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136696610
2-cyclopropyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696611
2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696614
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136696617
2-cyclopropyl-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696619
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136696623
4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136696624
4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136696633

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one (CID 136696628) is 2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one is CCOC1CC(Nc2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is SNZBABUXBWHPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-10-5-9(6-10)14-11-7-12(17)16-13(15-11)8-3-4-8/h7-10H,2-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).