2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine

C16H19Cl2N3 — CID 63562496

IUPAC2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(Cc2ccc(Cl)c(Cl)c2)nc(CC)c1C
InChIInChI=1S/C16H19Cl2N3/c1-4-14-10(3)16(19-5-2)21-15(20-14)9-11-6-7-12(17)13(18)8-11/h6-8H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyIEGFOMYZQYGBTA-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.68
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine

2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine (PubChem CID 63562496) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine
PubChem CID63562496
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(Cc2ccc(Cl)c(Cl)c2)nc(CC)c1C
InChIInChI=1S/C16H19Cl2N3/c1-4-14-10(3)16(19-5-2)21-15(20-14)9-11-6-7-12(17)13(18)8-11/h6-8H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyIEGFOMYZQYGBTA-UHFFFAOYSA-N
XLogP4.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66300863
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine
CID 63611985
N,6-diethyl-2-(methoxymethyl)-5-methylpyrimidin-4-amine
CID 63559829
6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 63561150
2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62190533
5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 66298662
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 63485964
2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63561739
2-[(2-chloro-4-fluorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299683
6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 67332285
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine (CID 63562496) is 2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(Cc2ccc(Cl)c(Cl)c2)nc(CC)c1C.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is IEGFOMYZQYGBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-4-14-10(3)16(19-5-2)21-15(20-14)9-11-6-7-12(17)13(18)8-11/h6-8H,4-5,9H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine?
2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63562496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).