4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile

C6H6N4O — CID 135998932

IUPAC4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1nc(N)c(C#N)c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c1-3-9-5(8)4(2-7)6(11)10-3/h1H3,(H3,8,9,10,11)
InChIKeyIKZBYPGADVGQIM-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.47
Rot. Bonds

About 4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile

4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 135998932) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID135998932
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1nc(N)c(C#N)c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c1-3-9-5(8)4(2-7)6(11)10-3/h1H3,(H3,8,9,10,11)
InChIKeyIKZBYPGADVGQIM-UHFFFAOYSA-N
XLogP-0.47
TPSA95.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile (CID 135998932) is 4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile is Cc1nc(N)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is IKZBYPGADVGQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-3-9-5(8)4(2-7)6(11)10-3/h1H3,(H3,8,9,10,11).
What are the key properties of 4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 150.14 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135998932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).