2-amino-4,5-dimethyl-1H-pyrimidin-6-one

C6H9N3O — CID 135402388

IUPAC2-amino-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1C
InChIInChI=1S/C6H9N3O/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H3,7,8,9,10)
InChIKeyAPWRLAZEMYLHKZ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.03
Rot. Bonds

About 2-amino-4,5-dimethyl-1H-pyrimidin-6-one

2-amino-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135402388) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135402388
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-amino-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1C
InChIInChI=1S/C6H9N3O/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H3,7,8,9,10)
InChIKeyAPWRLAZEMYLHKZ-UHFFFAOYSA-N
XLogP-0.03
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135401759
Pirimicarb-desamido
CID 135420611
5,6-Dimethylpyrimidin-4-ol
CID 135591008
2-Amino-3,5,6-trimethylpyrimidin-4-one
CID 2822937
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine
CID 135845994
2-Amino-5-fluoro-6-methylpyrimidin-4(1h)-one
CID 135455309
2-Hydrazinyl-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 135876280
2-Amino-6-methyl-5-(trifluoromethyl)-4(3H)-pyrimidinone
CID 135955182
2,6-Diamino-5-methylpyrimidin-4(1H)-one
CID 135413061
2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-1,1-dimethyl-guanidine
CID 135428300
2-amino-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135431425
5,6-Dimethyl-4-hydroxy-2-methoxypyrimidine
CID 135803836

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4,5-dimethyl-1H-pyrimidin-6-one (CID 135402388) is 2-amino-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1C.
What is the InChIKey of 2-amino-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is APWRLAZEMYLHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H3,7,8,9,10).
What are the key properties of 2-amino-4,5-dimethyl-1H-pyrimidin-6-one?
2-amino-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 139.16 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135402388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).