2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one

C9H15N3O2 — CID 135451986

IUPAC2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCCCO)n1
InChIInChI=1S/C9H15N3O2/c1-7-6-8(14)12-9(11-7)10-4-2-3-5-13/h6,13H,2-5H2,1H3,(H2,10,11,12,14)
InChIKeyJRYGVAVEPWMOEM-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.26
Rot. Bonds5

About 2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one

2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135451986) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135451986
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCCCO)n1
InChIInChI=1S/C9H15N3O2/c1-7-6-8(14)12-9(11-7)10-4-2-3-5-13/h6,13H,2-5H2,1H3,(H2,10,11,12,14)
InChIKeyJRYGVAVEPWMOEM-UHFFFAOYSA-N
XLogP0.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxyethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135403602
2-Amino-6-(4-hydroxybutylamino)pyrimidin-4-ol
CID 135474610
2-[(3-Hydroxypropyl)amino]-6-methylpyrimidin-4-ol
CID 135452324
2-Amino-3-(4-hydroxybutyl)-6-methyl-pyrimidin-4-one
CID 478620
2-(2-Hydroxyethylamino)-3,6-dimethylpyrimidin-4(3h)-one
CID 11615291
2-(2-Hydroxyethyl)amino-1,6-dimethyl-pyrimidin-4(1h)-one
CID 12139398
2-(1-hydroxybutan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350763
2-(3-hydroxypropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388265
2-[Bis(2-hydroxyethyl)amino]-6-methylpyrimidin-4(1h)-one
CID 135459400
2-Butylamino-6-methylpyrimidin-4-one
CID 135773302
6-Methyl-2-(propylamino)pyrimidin-4-ol
CID 136291311
1-(5-hydroxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 136701986

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one (CID 135451986) is 2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NCCCCO)n1.
What is the InChIKey of 2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JRYGVAVEPWMOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-6-8(14)12-9(11-7)10-4-2-3-5-13/h6,13H,2-5H2,1H3,(H2,10,11,12,14).
What are the key properties of 2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one?
2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135451986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).