5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one

C9H15N3O — CID 83875797

IUPAC5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one
SMILESCNCc1cncn(C(C)C)c1=O
InChIInChI=1S/C9H15N3O/c1-7(2)12-6-11-5-8(4-10-3)9(12)13/h5-7,10H,4H2,1-3H3
InChIKeyAKWVEKNPCWWTMA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.54
Rot. Bonds3

About 5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one

5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one (PubChem CID 83875797) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one
PubChem CID83875797
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one
SMILESCNCc1cncn(C(C)C)c1=O
InChIInChI=1S/C9H15N3O/c1-7(2)12-6-11-5-8(4-10-3)9(12)13/h5-7,10H,4H2,1-3H3
InChIKeyAKWVEKNPCWWTMA-UHFFFAOYSA-N
XLogP0.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyrimidinol, 5-methyl-
CID 205324
3,5-dimethyl-1H-pyrimidin-3-ium-6-one
CID 21021531
N-cyclopropyl-1,4-dihydropyrimidine-5-carboxamide
CID 68040207
3-Ethyl-5-methylpyrimidin-4-one
CID 89410488
(Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide
CID 118490164
5-Methyl-3-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 123408388
1,6-Dihydro-1-methyl-2-[(1-methylethyl)amino]-5-pyrimidinecarboxamide
CID 135727044
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
N,1-dimethyl-6-oxopyrimidine-5-carboxamide
CID 141080909
Methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium
CID 143456508
ethane;5-methyl-1H-pyrimidin-6-one
CID 145234775
1-ethyl-4H-pyrimidine-5-carboxamide
CID 145727088

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one (CID 83875797) is 5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one is CNCc1cncn(C(C)C)c1=O.
What is the InChIKey of 5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one?
The InChIKey is AKWVEKNPCWWTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)12-6-11-5-8(4-10-3)9(12)13/h5-7,10H,4H2,1-3H3.
What are the key properties of 5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one?
5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 83875797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).