2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one

C8H11N3O — CID 135426856

IUPAC2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C8H11N3O/c1-3-4-6-5(2)10-8(9)11-7(6)12/h3H,1,4H2,2H3,(H3,9,10,11,12)
InChIKeyGHNPMIYKCHMCDS-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.39
Rot. Bonds2

About 2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one

2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one (PubChem CID 135426856) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
PubChem CID135426856
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C8H11N3O/c1-3-4-6-5(2)10-8(9)11-7(6)12/h3H,1,4H2,2H3,(H3,9,10,11,12)
InChIKeyGHNPMIYKCHMCDS-UHFFFAOYSA-N
XLogP0.39
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-butyl-6-methyl-4(3H)-pyrimidinone
CID 135418936
2-Amino-6-propylpyrimidin-4-ol
CID 135556691
5-Allyl-2,6-dimethyl-4-pyrimidinol
CID 135447922
5-Allyl-6-methyl-2-(methylthio)pyrimidin-4-ol
CID 135421563
2-amino-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135431425
Cambridge id 7070208
CID 135453994
2-Amino-6-methyl-5-propylpyrimidin-4-ol
CID 135464007
2-Amino-6-methyl-5-(2-methylprop-2-enyl)pyrimidin-4-ol
CID 135418964
2-Amino-6-ethyl-5-methylpyrimidin-4-ol
CID 135431426
Sodium 6-methyl-5-(prop-2-en-1-yl)-4-oxo-3,4-dihydropyrimidine-2-thiolate
CID 145997420
2-amino-5-(2-fluoroethyl)-4-methyl-1H-pyrimidin-6-one
CID 136316363
2-methylsulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one
CID 135418952

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one (CID 135426856) is 2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one is C=CCc1c(C)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The InChIKey is GHNPMIYKCHMCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-4-6-5(2)10-8(9)11-7(6)12/h3H,1,4H2,2H3,(H3,9,10,11,12).
What are the key properties of 2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one has a molecular weight of 165.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135426856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).