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

C12H19N3O2 — CID 136696633

IUPAC4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2cc(=O)[nH]c(CC)n2)C1
InChIInChI=1S/C12H19N3O2/c1-3-10-14-11(7-12(16)15-10)13-8-5-9(6-8)17-4-2/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyMHJMJNWNLLVGSZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.31
Rot. Bonds5

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

4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136696633) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136696633
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2cc(=O)[nH]c(CC)n2)C1
InChIInChI=1S/C12H19N3O2/c1-3-10-14-11(7-12(16)15-10)13-8-5-9(6-8)17-4-2/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyMHJMJNWNLLVGSZ-UHFFFAOYSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.31
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 4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136696633) is 4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCOC1CC(Nc2cc(=O)[nH]c(CC)n2)C1.
What is the InChIKey of 4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is MHJMJNWNLLVGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-10-14-11(7-12(16)15-10)13-8-5-9(6-8)17-4-2/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.31, 5 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-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136696633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).