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

C14H23N3O2 — CID 136827304

IUPAC4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CCCO)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-15-12(9-13(19)16-14)17(7-4-8-18)11-5-3-6-11/h9-11,18H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyFMQOLZDZQCFFGV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.63
Rot. Bonds6

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

4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136827304) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136827304
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CCCO)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-15-12(9-13(19)16-14)17(7-4-8-18)11-5-3-6-11/h9-11,18H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyFMQOLZDZQCFFGV-UHFFFAOYSA-N
XLogP1.63
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136772469
4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136827305
4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136827306
4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136827309
4-[cyclobutyl(2-hydroxyethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136827313
4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136827314
4-[cyclobutyl(2-hydroxyethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136827318
4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136827336
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136847963
2-cyclopropyl-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847968
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136847974

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136827304) is 4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(CCCO)C2CCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FMQOLZDZQCFFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)14-15-12(9-13(19)16-14)17(7-4-8-18)11-5-3-6-11/h9-11,18H,3-8H2,1-2H3,(H,15,16,19).
What are the key properties of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.63, 6 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136827304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).