4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one

C11H17N3O2 — CID 136827314

IUPAC4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CCO)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(7-11(16)13-8)14(5-6-15)9-3-2-4-9/h7,9,15H,2-6H2,1H3,(H,12,13,16)
InChIKeyPCTBZDGURYKJMD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.43
Rot. Bonds4

About 4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136827314) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136827314
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CCO)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(7-11(16)13-8)14(5-6-15)9-3-2-4-9/h7,9,15H,2-6H2,1H3,(H,12,13,16)
InChIKeyPCTBZDGURYKJMD-UHFFFAOYSA-N
XLogP0.43
TPSA69.22 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 ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136827314) is 4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(CCO)C2CCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is PCTBZDGURYKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-12-10(7-11(16)13-8)14(5-6-15)9-3-2-4-9/h7,9,15H,2-6H2,1H3,(H,12,13,16).
What are the key properties of 4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136827314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).