N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine

C22H24ClN5 — CID 112898349

IUPACN-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3nccc(Nc4cccc(Cl)c4)n3)CC2)c1C
InChIInChI=1S/C22H24ClN5/c1-16-5-3-8-20(17(16)2)27-11-13-28(14-12-27)22-24-10-9-21(26-22)25-19-7-4-6-18(23)15-19/h3-10,15H,11-14H2,1-2H3,(H,24,25,26)
InChIKeyKOMSGTVTZRRILE-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.82
Rot. Bonds4

About N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine

N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112898349) has the molecular formula C22H24ClN5 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112898349
Molecular FormulaC22H24ClN5
Molecular Weight393.92 g/mol
Exact Mass393.17
IUPAC NameN-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3nccc(Nc4cccc(Cl)c4)n3)CC2)c1C
InChIInChI=1S/C22H24ClN5/c1-16-5-3-8-20(17(16)2)27-11-13-28(14-12-27)22-24-10-9-21(26-22)25-19-7-4-6-18(23)15-19/h3-10,15H,11-14H2,1-2H3,(H,24,25,26)
InChIKeyKOMSGTVTZRRILE-UHFFFAOYSA-N
XLogP4.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898350
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)pyrimidin-4-amine
CID 112898416
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 112898411
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112883531
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898527
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923592
5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
CID 155942484
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112898533
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine
CID 123348246
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923590
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297333
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888142

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112898349) is N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine is Cc1cccc(N2CCN(c3nccc(Nc4cccc(Cl)c4)n3)CC2)c1C.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is KOMSGTVTZRRILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5/c1-16-5-3-8-20(17(16)2)27-11-13-28(14-12-27)22-24-10-9-21(26-22)25-19-7-4-6-18(23)15-19/h3-10,15H,11-14H2,1-2H3,(H,24,25,26).
What are the key properties of N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine?
N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 393.92 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112898349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).