4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C11H18N4O — CID 136978540

IUPAC4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)C2CNC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-7(2)11-13-9(4-10(16)14-11)15(3)8-5-12-6-8/h4,7-8,12H,5-6H2,1-3H3,(H,13,14,16)
InChIKeyGZNVKBSESFAGCQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.30
Rot. Bonds3

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

4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136978540) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136978540
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)C2CNC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-7(2)11-13-9(4-10(16)14-11)15(3)8-5-12-6-8/h4,7-8,12H,5-6H2,1-3H3,(H,13,14,16)
InChIKeyGZNVKBSESFAGCQ-UHFFFAOYSA-N
XLogP0.30
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136850118
4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136958280
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017
4-[cyclopropylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009222
4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009650
N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 66183116
4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136827336
4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979615
4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805343
3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016014
4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]benzoic acid
CID 136972403
4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136972556

Frequently Asked Questions

What is the IUPAC name of 4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136978540) is 4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(C)C2CNC2)cc(=O)[nH]1.
What is the InChIKey of 4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GZNVKBSESFAGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(2)11-13-9(4-10(16)14-11)15(3)8-5-12-6-8/h4,7-8,12H,5-6H2,1-3H3,(H,13,14,16).
What are the key properties of 4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136978540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).