2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

C15H19N3O2 — CID 79417005

IUPAC2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCCC(N)Cc1nc(O)c(-c2cccc(C)c2)c(=O)[nH]1
InChIInChI=1S/C15H19N3O2/c1-3-11(16)8-12-17-14(19)13(15(20)18-12)10-6-4-5-9(2)7-10/h4-7,11H,3,8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyWMFMWEWAOMVERY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.73
Rot. Bonds4

About 2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 79417005) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
PubChem CID79417005
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCCC(N)Cc1nc(O)c(-c2cccc(C)c2)c(=O)[nH]1
InChIInChI=1S/C15H19N3O2/c1-3-11(16)8-12-17-14(19)13(15(20)18-12)10-6-4-5-9(2)7-10/h4-7,11H,3,8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyWMFMWEWAOMVERY-UHFFFAOYSA-N
XLogP1.73
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (CID 79417005) is 2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is CCC(N)Cc1nc(O)c(-c2cccc(C)c2)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is WMFMWEWAOMVERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-11(16)8-12-17-14(19)13(15(20)18-12)10-6-4-5-9(2)7-10/h4-7,11H,3,8,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 273.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79417005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).