2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one

C11H17N3O2 — CID 136696642

IUPAC2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CC(OC)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-3-9-13-10(6-11(15)14-9)12-7-4-8(5-7)16-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyQJQNOVJEGMLYDD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.92
Rot. Bonds4

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

2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136696642) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136696642
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CC(OC)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-3-9-13-10(6-11(15)14-9)12-7-4-8(5-7)16-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyQJQNOVJEGMLYDD-UHFFFAOYSA-N
XLogP0.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one
CID 114586545
4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586547
4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114586551
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
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one (CID 136696642) is 2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one is CCc1nc(NC2CC(OC)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QJQNOVJEGMLYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-9-13-10(6-11(15)14-9)12-7-4-8(5-7)16-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.92, 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-methoxycyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).