N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C16H18Cl2N4 — CID 112856502

IUPACN-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCN(c2cc(Nc3ccc(Cl)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C16H18Cl2N4/c1-11-4-6-22(7-5-11)16-9-15(19-10-20-16)21-12-2-3-13(17)14(18)8-12/h2-3,8-11H,4-7H2,1H3,(H,19,20,21)
InChIKeyQWGSBTZWNAYPQG-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.76
Rot. Bonds3

About N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112856502) has the molecular formula C16H18Cl2N4 and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112856502
Molecular FormulaC16H18Cl2N4
Molecular Weight337.25 g/mol
Exact Mass336.09
IUPAC NameN-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCN(c2cc(Nc3ccc(Cl)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C16H18Cl2N4/c1-11-4-6-22(7-5-11)16-9-15(19-10-20-16)21-12-2-3-13(17)14(18)8-12/h2-3,8-11H,4-7H2,1H3,(H,19,20,21)
InChIKeyQWGSBTZWNAYPQG-UHFFFAOYSA-N
XLogP4.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-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

N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856432
4-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113192856
N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282462
N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112864416
6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 67695128
1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea
CID 90546264
N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856447
6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856437
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22546792
N-(3-chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968425
N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856426

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112856502) is N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is CC1CCN(c2cc(Nc3ccc(Cl)c(Cl)c3)ncn2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is QWGSBTZWNAYPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4/c1-11-4-6-22(7-5-11)16-9-15(19-10-20-16)21-12-2-3-13(17)14(18)8-12/h2-3,8-11H,4-7H2,1H3,(H,19,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 337.25 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112856502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).