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

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Related Compounds

2-(4-chloroanilino)-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135682172
4-[1-(2,6-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 135981189
4-benzyl-2-methoxy-1H-pyrimidin-6-one
CID 135483738
6-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 121204988
5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 117106835
2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one
CID 136575811
6-[(4-methoxyphenyl)methyl]-1H-quinolin-2-one
CID 70082190
2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925
2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136851106
4-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 141462139
4-[1-(2,6-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]-5-methyl-1H-pyrimidin-6-one
CID 137175144
2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one
CID 135973670

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).