4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one

C10H15N3O2 — CID 136696650

IUPAC4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOC1(CNc2cc(=O)[nH]cn2)CCC1
InChIInChI=1S/C10H15N3O2/c1-15-10(3-2-4-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyAUYDEXOYYPEJSA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.75
Rot. Bonds4

About 4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one

4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136696650) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136696650
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOC1(CNc2cc(=O)[nH]cn2)CCC1
InChIInChI=1S/C10H15N3O2/c1-15-10(3-2-4-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyAUYDEXOYYPEJSA-UHFFFAOYSA-N
XLogP0.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136696643
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644
5-amino-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696645
5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696646
5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696648
5-bromo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696651
4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716215
4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819391
4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954502
4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136956907
4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956990
4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957241

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136696650) is 4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one is COC1(CNc2cc(=O)[nH]cn2)CCC1.
What is the InChIKey of 4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is AUYDEXOYYPEJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-10(3-2-4-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).