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

C11H17N3O2 — CID 136696643

IUPAC4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCOC1(CNc2cc(=O)[nH]c(C)n2)CCC1
InChIInChI=1S/C11H17N3O2/c1-8-13-9(6-10(15)14-8)12-7-11(16-2)4-3-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyZTEDSAJEGBLPTL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.06
Rot. Bonds4

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

4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136696643) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136696643
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCOC1(CNc2cc(=O)[nH]c(C)n2)CCC1
InChIInChI=1S/C11H17N3O2/c1-8-13-9(6-10(15)14-8)12-7-11(16-2)4-3-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyZTEDSAJEGBLPTL-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-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705562
2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696647
4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696650
4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136716216
4-[(2-hydroxy-2-methylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819385
4-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136819389
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136864248
4-[(2-ethoxy-2-methylpropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136954497
4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136954504
4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956752
4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956768
4-[(2-hydroxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956781

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136696643) is 4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one is COC1(CNc2cc(=O)[nH]c(C)n2)CCC1.
What is the InChIKey of 4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZTEDSAJEGBLPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-13-9(6-10(15)14-8)12-7-11(16-2)4-3-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(1-methoxycyclobutyl)methylamino]-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-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136696643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).