2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine

C6H9N5O — CID 136656875

IUPAC2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCc1cc(=O)[nH]c(N=C(N)N)n1
InChIInChI=1S/C6H9N5O/c1-3-2-4(12)10-6(9-3)11-5(7)8/h2H,1H3,(H5,7,8,9,10,11,12)
InChIKeyNMXJBMQFHCNHKQ-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.02
Rot. Bonds1

About 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine

2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine (PubChem CID 136656875) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
PubChem CID136656875
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCc1cc(=O)[nH]c(N=C(N)N)n1
InChIInChI=1S/C6H9N5O/c1-3-2-4(12)10-6(9-3)11-5(7)8/h2H,1H3,(H5,7,8,9,10,11,12)
InChIKeyNMXJBMQFHCNHKQ-UHFFFAOYSA-N
XLogP-1.02
TPSA110.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Aminoisocytosine
CID 135408763
2-(diethylamino)-6-methyl-1H-pyrimidin-4-one
CID 135448147
2-Amino-6-methylpyrimidin-4-one
CID 135402055
2-Cyanoamino-4-Hydroxy-6-Methylpyrimidine
CID 135454173
2-Hydrazinyl-6-methylpyrimidin-4-ol
CID 135399119
2-Amino-4-hydroxy-6-trifluoromethylpyrimidine
CID 135418580
2-Amino-6-(dimethylamino)pyrimidin-4-ol
CID 135442218
2-Methoxy-6-methyl-3,4-dihydropyrimidin-4-one
CID 135437273
2-Amino-6-propylpyrimidin-4-ol
CID 135556691
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one
CID 155565016
6-Methyl-2-selenouracil
CID 135738686

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine (CID 136656875) is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine is Cc1cc(=O)[nH]c(N=C(N)N)n1.
What is the InChIKey of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The InChIKey is NMXJBMQFHCNHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-3-2-4(12)10-6(9-3)11-5(7)8/h2H,1H3,(H5,7,8,9,10,11,12).
What are the key properties of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine has a molecular weight of 167.17 g/mol, XLogP of -1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 136656875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).