4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one

C10H17N3O — CID 135508651

IUPAC4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)Cc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O/c1-4-13(5-2)7-9-6-10(14)12-8(3)11-9/h6H,4-5,7H2,1-3H3,(H,11,12,14)
InChIKeyISJJUXPLURIOKP-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.92
Rot. Bonds4

About 4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one

4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 135508651) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID135508651
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)Cc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O/c1-4-13(5-2)7-9-6-10(14)12-8(3)11-9/h6H,4-5,7H2,1-3H3,(H,11,12,14)
InChIKeyISJJUXPLURIOKP-UHFFFAOYSA-N
XLogP0.92
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-1H-pyrimidin-4-one
CID 135408640
2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
2-(Aminomethyl)-6-methylpyrimidin-4(3H)-one
CID 135714975
2-(Aminomethyl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137098529
N-((6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)methyl)acetamide
CID 136208150
N-(1-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ethyl)acetamide
CID 136245430
N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 136896441
4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
CID 157847969
1,2-Dimethyl-4-methylaminoethylidene-5-imidazolone
CID 129786331
6-(beta-Dimethylamino) vinyl-4-pyrimidinone
CID 129871302

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one (CID 135508651) is 4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one is CCN(CC)Cc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ISJJUXPLURIOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-13(5-2)7-9-6-10(14)12-8(3)11-9/h6H,4-5,7H2,1-3H3,(H,11,12,14).
What are the key properties of 4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one?
4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135508651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).