5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one

C9H17N3O — CID 118593649

IUPAC5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one
SMILESCNC1NC(=O)N(C(C)C)C=C1C
InChIInChI=1S/C9H17N3O/c1-6(2)12-5-7(3)8(10-4)11-9(12)13/h5-6,8,10H,1-4H3,(H,11,13)
InChIKeyXMHBPRZIHKVPTL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.87
Rot. Bonds2

About 5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one

5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one (PubChem CID 118593649) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one
PubChem CID118593649
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one
SMILESCNC1NC(=O)N(C(C)C)C=C1C
InChIInChI=1S/C9H17N3O/c1-6(2)12-5-7(3)8(10-4)11-9(12)13/h5-6,8,10H,1-4H3,(H,11,13)
InChIKeyXMHBPRZIHKVPTL-UHFFFAOYSA-N
XLogP0.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one
CID 166497205
5-fluoro-2-methylidene-1-propan-2-ylpyrimidin-4-one
CID 58336949
2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one
CID 129060672
6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one
CID 176729189
(7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 155475235
methyl (6S)-6-(3-bromo-4-fluorophenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxylate
CID 9449173
6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 134228664
(1S,4S,5S)-4,9-dimethyl-3-oxo-2-azabicyclo[3.2.2]non-8-ene-6,6,7,7-tetracarbonitrile
CID 98553520
2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
CID 47441631
3-(methylamino)-1-propan-2-ylazepan-2-one
CID 22984869
6-hydroxy-5-methyl-3-(4-prop-2-enoxyphosphanyloxyhexan-2-yl)-1,6-dihydropyrimidin-2-one
CID 163802590
3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione
CID 64874694

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one (CID 118593649) is 5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one is CNC1NC(=O)N(C(C)C)C=C1C.
What is the InChIKey of 5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one?
The InChIKey is XMHBPRZIHKVPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)12-5-7(3)8(10-4)11-9(12)13/h5-6,8,10H,1-4H3,(H,11,13).
What are the key properties of 5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one?
5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 118593649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).