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

C12H19N3O2 — CID 136827305

IUPAC4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CCCO)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-13-11(8-12(17)14-9)15(6-3-7-16)10-4-2-5-10/h8,10,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyFAOVWWJERHTRGE-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.82
Rot. Bonds5

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

4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136827305) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136827305
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CCCO)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-13-11(8-12(17)14-9)15(6-3-7-16)10-4-2-5-10/h8,10,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyFAOVWWJERHTRGE-UHFFFAOYSA-N
XLogP0.82
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136827305) is 4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(CCCO)C2CCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FAOVWWJERHTRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-13-11(8-12(17)14-9)15(6-3-7-16)10-4-2-5-10/h8,10,16H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136827305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).