2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one

C14H15Cl2N3O — CID 135978205

IUPAC2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-2-17-8-11-7-14(20)19-13(18-11)5-9-3-4-10(15)6-12(9)16/h3-4,6-7,17H,2,5,8H2,1H3,(H,18,19,20)
InChIKeyRGOHNWUNDXRNRJ-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.78
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one

2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 135978205) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one
PubChem CID135978205
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-2-17-8-11-7-14(20)19-13(18-11)5-9-3-4-10(15)6-12(9)16/h3-4,6-7,17H,2,5,8H2,1H3,(H,18,19,20)
InChIKeyRGOHNWUNDXRNRJ-UHFFFAOYSA-N
XLogP2.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-2-[(2,4-dichlorophenyl)methyl]-1H-pyrimidin-6-one
CID 136729443
4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136852165
4-(aminomethyl)-2-[(2-chlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135978376
2-[(2,4-dichlorophenyl)methyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476244
4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135978286
4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 135978217
N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine
CID 115482556
2-[(4-bromophenyl)methyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978166
2-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 62328475
1-[2-[(2,4-dichlorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744094
2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
CID 43399947
2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63612286

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one (CID 135978205) is 2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one is CCNCc1cc(=O)[nH]c(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is RGOHNWUNDXRNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-2-17-8-11-7-14(20)19-13(18-11)5-9-3-4-10(15)6-12(9)16/h3-4,6-7,17H,2,5,8H2,1H3,(H,18,19,20).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one?
2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 312.20 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).