2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one

C9H13N3O — CID 135418964

IUPAC2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-5(2)4-7-6(3)11-9(10)12-8(7)13/h1,4H2,2-3H3,(H3,10,11,12,13)
InChIKeyGNCYVCDDPOUJMX-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.78
Rot. Bonds2

About 2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one

2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one (PubChem CID 135418964) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
PubChem CID135418964
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-5(2)4-7-6(3)11-9(10)12-8(7)13/h1,4H2,2-3H3,(H3,10,11,12,13)
InChIKeyGNCYVCDDPOUJMX-UHFFFAOYSA-N
XLogP0.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one (CID 135418964) is 2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one is C=C(C)Cc1c(C)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
The InChIKey is GNCYVCDDPOUJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-5(2)4-7-6(3)11-9(10)12-8(7)13/h1,4H2,2-3H3,(H3,10,11,12,13).
What are the key properties of 2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
2-amino-4-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.78, 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-(2-methylprop-2-enyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135418964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).