3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one

C13H23N3O — CID 129127197

IUPAC3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one
SMILESCc1nc(C(C)C)n(CCN(C)C)c(=O)c1C
InChIInChI=1S/C13H23N3O/c1-9(2)12-14-11(4)10(3)13(17)16(12)8-7-15(5)6/h9H,7-8H2,1-6H3
InChIKeyVWTIWVKWKXCPIT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.55
Rot. Bonds4

About 3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one

3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one (PubChem CID 129127197) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one
PubChem CID129127197
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one
SMILESCc1nc(C(C)C)n(CCN(C)C)c(=O)c1C
InChIInChI=1S/C13H23N3O/c1-9(2)12-14-11(4)10(3)13(17)16(12)8-7-15(5)6/h9H,7-8H2,1-6H3
InChIKeyVWTIWVKWKXCPIT-UHFFFAOYSA-N
XLogP1.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68986585
Diazinon Impurity 2
CID 13123701
2,3,5,6-Tetramethylpyrimidin-4-one
CID 13149275
3-Ethyl-2,5,6-trimethylpyrimidin-4-one
CID 22091870
2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 59119712
2,3,5,6-Tetramethyl-1-propan-2-ylpyrimidin-1-ium-4-one
CID 59338933
2,5,6-Trimethyl-3-propan-2-ylpyrimidin-4-one
CID 59463795
6-(Aminomethyl)-1,2,5-trimethylpyrimidin-4-one
CID 60125702
2,6-Dimethyl-3-(2-methylpropyl)pyrimidin-4-one
CID 67473382
2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 67475081
5-Ethyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 118974124
5-Methyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 118974363

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one (CID 129127197) is 3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one is Cc1nc(C(C)C)n(CCN(C)C)c(=O)c1C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one?
The InChIKey is VWTIWVKWKXCPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)12-14-11(4)10(3)13(17)16(12)8-7-15(5)6/h9H,7-8H2,1-6H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one?
3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one has a molecular weight of 237.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 129127197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).