2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine

C16H19Cl2N3 — CID 63486136

IUPAC2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccc(Cl)cc2Cl)nc(C)c1C
InChIInChI=1S/C16H19Cl2N3/c1-4-7-19-16-10(2)11(3)20-15(21-16)8-12-5-6-13(17)9-14(12)18/h5-6,9H,4,7-8H2,1-3H3,(H,19,20,21)
InChIKeyROMKQNRBCPFFQH-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.81
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine

2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 63486136) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
PubChem CID63486136
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccc(Cl)cc2Cl)nc(C)c1C
InChIInChI=1S/C16H19Cl2N3/c1-4-7-19-16-10(2)11(3)20-15(21-16)8-12-5-6-13(17)9-14(12)18/h5-6,9H,4,7-8H2,1-3H3,(H,19,20,21)
InChIKeyROMKQNRBCPFFQH-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-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

1-[2-[(2,4-dichlorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744094
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980727
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine
CID 66307695
2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63484670
2-(2,6-dichlorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63480505
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 63485964
5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
CID 66302468
2-(methoxymethyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62191495
5-bromo-2-[(2-fluorophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66307477
2-[(2,4-dichlorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740211
N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 63447093

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine (CID 63486136) is 2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(Cc2ccc(Cl)cc2Cl)nc(C)c1C.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is ROMKQNRBCPFFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-4-7-19-16-10(2)11(3)20-15(21-16)8-12-5-6-13(17)9-14(12)18/h5-6,9H,4,7-8H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine?
2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63486136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).