methane;2-(methylamino)-1H-pyrimidin-6-one

C6H11N3O — CID 160937829

IUPACmethane;2-(methylamino)-1H-pyrimidin-6-one
SMILESC.CNc1nccc(=O)[nH]1
InChIInChI=1S/C5H7N3O.CH4/c1-6-5-7-3-2-4(9)8-5;/h2-3H,1H3,(H2,6,7,8,9);1H4
InChIKeySUCLOVBWBUXSEK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.45
Rot. Bonds1

About methane;2-(methylamino)-1H-pyrimidin-6-one

methane;2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 160937829) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is methane;2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Namemethane;2-(methylamino)-1H-pyrimidin-6-one
PubChem CID160937829
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Namemethane;2-(methylamino)-1H-pyrimidin-6-one
SMILESC.CNc1nccc(=O)[nH]1
InChIInChI=1S/C5H7N3O.CH4/c1-6-5-7-3-2-4(9)8-5;/h2-3H,1H3,(H2,6,7,8,9);1H4
InChIKeySUCLOVBWBUXSEK-UHFFFAOYSA-N
XLogP0.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-6-(dimethylamino)pyrimidin-4-ol
CID 135442218
4-Hydroxypyrimidine
CID 20695
Isocytosine
CID 66950
2-(Dimethylamino)pyrimidin-4-ol
CID 817200
6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
4-Amino-2-dimethylamino-6-hydroxypyrimidine
CID 135431314
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
5H,8H-imidazo[1,2-a]pyrimidin-5-one
CID 12258611
2-Amino-3-methyl-3,4-dihydropyrimidin-4-one
CID 10313133
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
N-(6-Oxo-1,6-dihydropyrimidin-2-yl)urea
CID 22227528
Pyrimidine, 2-dimethylamino-1,6-dihydro-1-methyl-6-oxo-
CID 21854538

Frequently Asked Questions

What is the IUPAC name of methane;2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of methane;2-(methylamino)-1H-pyrimidin-6-one (CID 160937829) is methane;2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for methane;2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for methane;2-(methylamino)-1H-pyrimidin-6-one is C.CNc1nccc(=O)[nH]1.
What is the InChIKey of methane;2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is SUCLOVBWBUXSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.CH4/c1-6-5-7-3-2-4(9)8-5;/h2-3H,1H3,(H2,6,7,8,9);1H4.
What are the key properties of methane;2-(methylamino)-1H-pyrimidin-6-one?
methane;2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 141.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 160937829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).