2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one

C13H21N3O2 — CID 136696614

IUPAC2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CC(OC)C2(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-5-10-15-11(7-12(17)16-10)14-8-6-9(18-4)13(8,2)3/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyCMQAUIHGCLPTTB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds4

About 2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136696614) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136696614
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CC(OC)C2(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-5-10-15-11(7-12(17)16-10)14-8-6-9(18-4)13(8,2)3/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyCMQAUIHGCLPTTB-UHFFFAOYSA-N
XLogP1.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)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

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
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696613
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]-1H-pyrimidin-6-one
CID 136696622
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
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628
4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136696633
4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136696634
2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696642

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one (CID 136696614) is 2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one is CCc1nc(NC2CC(OC)C2(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is CMQAUIHGCLPTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-10-15-11(7-12(17)16-10)14-8-6-9(18-4)13(8,2)3/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).