2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one

C17H24N4O2 — CID 136671273

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(Cc2cc(=O)[nH]c(N(C)CCN(C)C)n2)cc1
InChIInChI=1S/C17H24N4O2/c1-20(2)9-10-21(3)17-18-14(12-16(22)19-17)11-13-5-7-15(23-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,18,19,22)
InChIKeyIRGXNOKOSGTGCV-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.37
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one

2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 136671273) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID136671273
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(Cc2cc(=O)[nH]c(N(C)CCN(C)C)n2)cc1
InChIInChI=1S/C17H24N4O2/c1-20(2)9-10-21(3)17-18-14(12-16(22)19-17)11-13-5-7-15(23-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,18,19,22)
InChIKeyIRGXNOKOSGTGCV-UHFFFAOYSA-N
XLogP1.37
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 136671273) is 2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1ccc(Cc2cc(=O)[nH]c(N(C)CCN(C)C)n2)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is IRGXNOKOSGTGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20(2)9-10-21(3)17-18-14(12-16(22)19-17)11-13-5-7-15(23-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,18,19,22).
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 316.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136671273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).