6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one

C9H15N3O2 — CID 23518643

IUPAC6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
SMILESCc1nc(N)cc(=O)n1CCCCO
InChIInChI=1S/C9H15N3O2/c1-7-11-8(10)6-9(14)12(7)4-2-3-5-13/h6,13H,2-5,10H2,1H3
InChIKeyDRCDIOJWOLGSAO-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.09
Rot. Bonds4

About 6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one

6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one (PubChem CID 23518643) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
PubChem CID23518643
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
SMILESCc1nc(N)cc(=O)n1CCCCO
InChIInChI=1S/C9H15N3O2/c1-7-11-8(10)6-9(14)12(7)4-2-3-5-13/h6,13H,2-5,10H2,1H3
InChIKeyDRCDIOJWOLGSAO-UHFFFAOYSA-N
XLogP-0.09
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Actinium;6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 23518642
3-(4-Hydroxybutyl)-2,6-dimethylpyrimidin-4-one
CID 63769737
3-(4-Hydroxybutyl)-5-iodo-2-methylpyrimidin-4-one
CID 66343154
6-Chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581625
6-Chloro-3-(3-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581755
6-Chloro-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581785
6-Chloro-2-ethyl-3-(3-hydroxypropyl)pyrimidin-4-one
CID 114584198
6-Chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one
CID 114584320
6-Chloro-3-(4-hydroxybutyl)-2-propan-2-ylpyrimidin-4-one
CID 114584936
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one
CID 136772468
4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136958104

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one (CID 23518643) is 6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one is Cc1nc(N)cc(=O)n1CCCCO.
What is the InChIKey of 6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one?
The InChIKey is DRCDIOJWOLGSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-11-8(10)6-9(14)12(7)4-2-3-5-13/h6,13H,2-5,10H2,1H3.
What are the key properties of 6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one?
6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one has a molecular weight of 197.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 23518643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).