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

C10H15N3O2 — CID 136696634

IUPAC4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOC1CC(Nc2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C10H15N3O2/c1-6-11-9(5-10(14)12-6)13-7-3-8(4-7)15-2/h5,7-8H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyMNAYZUGDLFAJPP-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.67
Rot. Bonds3

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

4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136696634) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136696634
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOC1CC(Nc2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C10H15N3O2/c1-6-11-9(5-10(14)12-6)13-7-3-8(4-7)15-2/h5,7-8H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyMNAYZUGDLFAJPP-UHFFFAOYSA-N
XLogP0.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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]-1H-pyrimidin-6-one
CID 136696631
4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136696633
4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696640

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136696634) is 4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one is COC1CC(Nc2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MNAYZUGDLFAJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-11-9(5-10(14)12-6)13-7-3-8(4-7)15-2/h5,7-8H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136696634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).