6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine

C15H17Cl2N5 — CID 122281827

IUPAC6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCN(c3cccc(Cl)c3Cl)CC2)ncn1
InChIInChI=1S/C15H17Cl2N5/c1-18-13-9-14(20-10-19-13)22-7-5-21(6-8-22)12-4-2-3-11(16)15(12)17/h2-4,9-10H,5-8H2,1H3,(H,18,19,20)
InChIKeyNJDDMFXFRDUDEM-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.15
Rot. Bonds3

About 6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine

6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 122281827) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is 6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID122281827
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC Name6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCN(c3cccc(Cl)c3Cl)CC2)ncn1
InChIInChI=1S/C15H17Cl2N5/c1-18-13-9-14(20-10-19-13)22-7-5-21(6-8-22)12-4-2-3-11(16)15(12)17/h2-4,9-10H,5-8H2,1H3,(H,18,19,20)
InChIKeyNJDDMFXFRDUDEM-UHFFFAOYSA-N
XLogP3.15
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848
6-(4,4-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80823841
6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
CID 80822585
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
CID 80825091
4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81109322
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine
CID 154829308
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80755881
N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282462
N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855731
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909400

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine (CID 122281827) is 6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine is CNc1cc(N2CCN(c3cccc(Cl)c3Cl)CC2)ncn1.
What is the InChIKey of 6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is NJDDMFXFRDUDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5/c1-18-13-9-14(20-10-19-13)22-7-5-21(6-8-22)12-4-2-3-11(16)15(12)17/h2-4,9-10H,5-8H2,1H3,(H,18,19,20).
What are the key properties of 6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 338.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 122281827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).