6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one

C9H15N3O — CID 83846629

IUPAC6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCNCc1cc(C(C)C)nc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-6(2)8-4-7(5-10-3)11-9(13)12-8/h4,6,10H,5H2,1-3H3,(H,11,12,13)
InChIKeyXVIGDDBDHPVBRP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.61
Rot. Bonds3

About 6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one

6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 83846629) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one
PubChem CID83846629
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCNCc1cc(C(C)C)nc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-6(2)8-4-7(5-10-3)11-9(13)12-8/h4,6,10H,5H2,1-3H3,(H,11,12,13)
InChIKeyXVIGDDBDHPVBRP-UHFFFAOYSA-N
XLogP0.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Diisopropylpyrimidine-2-ol
CID 59336135
4-Methyl-6-(propan-2-yl)pyrimidin-2-ol
CID 75454674
6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83850724
4,6-Dimethyl-1-[2-(methylamino)ethyl]pyrimidin-2-one
CID 61386999
6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one
CID 106517838
4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane
CID 165134028
4,6-Dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-2-one
CID 62563289
4,6-Dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one
CID 62564145
4,6-Dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one
CID 62564322
4,6-Dimethyl-1-[3-methyl-2-(propylamino)butyl]pyrimidin-2-one
CID 80445466
4,6-Dimethyl-1-[3-methyl-2-(methylamino)butyl]pyrimidin-2-one
CID 80445515
1-[2-(Ethylamino)-3-methylbutyl]-4,6-dimethylpyrimidin-2-one
CID 80445541

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one (CID 83846629) is 6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one is CNCc1cc(C(C)C)nc(=O)[nH]1.
What is the InChIKey of 6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is XVIGDDBDHPVBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)8-4-7(5-10-3)11-9(13)12-8/h4,6,10H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 83846629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).