ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one

C8H15N3O — CID 145166699

IUPACethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCC.CNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C6H9N3O.C2H6/c1-4-3-5(10)9-6(7-2)8-4;1-2/h3H,1-2H3,(H2,7,8,9,10);1-2H3
InChIKeyIRDXEPCHTRRPSS-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.15
Rot. Bonds1

About ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one

ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 145166699) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID145166699
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Nameethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCC.CNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C6H9N3O.C2H6/c1-4-3-5(10)9-6(7-2)8-4;1-2/h3H,1-2H3,(H2,7,8,9,10);1-2H3
InChIKeyIRDXEPCHTRRPSS-UHFFFAOYSA-N
XLogP1.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide
CID 137229327
1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea
CID 135981087
4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one
CID 137003975
[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea
CID 137232321
4-methyl-2-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460315
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135468165
2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 135511505
2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one
CID 135462793
2-[[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]amino]-4-methyl-1H-pyrimidin-6-one
CID 137178461
methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate
CID 137201096
2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
CID 135521075

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one (CID 145166699) is ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one is CC.CNc1nc(C)cc(=O)[nH]1.
What is the InChIKey of ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is IRDXEPCHTRRPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.C2H6/c1-4-3-5(10)9-6(7-2)8-4;1-2/h3H,1-2H3,(H2,7,8,9,10);1-2H3.
What are the key properties of ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 169.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 145166699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).