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

C11H17N3O2 — CID 136696624

IUPAC4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C11H17N3O2/c1-3-16-9-4-8(5-9)14-10-6-11(15)13-7(2)12-10/h6,8-9H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyQSKVTGCYPIJBNL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.06
Rot. Bonds4

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

4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136696624) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136696624
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C11H17N3O2/c1-3-16-9-4-8(5-9)14-10-6-11(15)13-7(2)12-10/h6,8-9H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyQSKVTGCYPIJBNL-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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-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
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628
4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696631
4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136696633

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136696624) is 4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one is CCOC1CC(Nc2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QSKVTGCYPIJBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-9-4-8(5-9)14-10-6-11(15)13-7(2)12-10/h6,8-9H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136696624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).