2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine

C16H19Cl2N3 — CID 63479985

IUPAC2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(CCC)nc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H19Cl2N3/c1-3-5-12-10-15(19-8-4-2)21-16(20-12)11-6-7-13(17)14(18)9-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20,21)
InChIKeyLMXHDIYLUVZSEQ-UHFFFAOYSA-N
MW324.26 g/mol
LogP5.22
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine

2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 63479985) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine
PubChem CID63479985
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(CCC)nc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H19Cl2N3/c1-3-5-12-10-15(19-8-4-2)21-16(20-12)11-6-7-13(17)14(18)9-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20,21)
InChIKeyLMXHDIYLUVZSEQ-UHFFFAOYSA-N
XLogP5.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.26
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-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-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 115568211
2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 106818371
2-(3-chloro-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63484860
N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 63486628
2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 135978603
N,6-dipropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62192681
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486675
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63529596
N-ethyl-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823324
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623
3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62202780

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine (CID 63479985) is 2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine is CCCNc1cc(CCC)nc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is LMXHDIYLUVZSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-3-5-12-10-15(19-8-4-2)21-16(20-12)11-6-7-13(17)14(18)9-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine?
2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 324.26 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 63479985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).