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

C22H24ClN5 — CID 112890706

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(N2CCN(c3cccc(Cl)c3)CC2)n1)c1ccccc1
InChIInChI=1S/C22H24ClN5/c1-17(18-6-3-2-4-7-18)25-22-24-11-10-21(26-22)28-14-12-27(13-15-28)20-9-5-8-19(23)16-20/h2-11,16-17H,12-15H2,1H3,(H,24,25,26)
InChIKeySFWAUVGJFCYISV-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.63
Rot. Bonds5

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

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 112890706) has the molecular formula C22H24ClN5 and a molecular weight of 393.92 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
PubChem CID112890706
Molecular FormulaC22H24ClN5
Molecular Weight393.92 g/mol
Exact Mass393.17
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(N2CCN(c3cccc(Cl)c3)CC2)n1)c1ccccc1
InChIInChI=1S/C22H24ClN5/c1-17(18-6-3-2-4-7-18)25-22-24-11-10-21(26-22)28-14-12-27(13-15-28)20-9-5-8-19(23)16-20/h2-11,16-17H,12-15H2,1H3,(H,24,25,26)
InChIKeySFWAUVGJFCYISV-UHFFFAOYSA-N
XLogP4.63
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112898366
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898397
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112923605
N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898122
4-methyl-N-(1-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112916788
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
4-(3-chlorophenyl)-N-(1-phenylethyl)piperazine-1-carbothioamide
CID 19654606
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
N-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896430

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine (CID 112890706) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine is CC(Nc1nccc(N2CCN(c3cccc(Cl)c3)CC2)n1)c1ccccc1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The InChIKey is SFWAUVGJFCYISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5/c1-17(18-6-3-2-4-7-18)25-22-24-11-10-21(26-22)28-14-12-27(13-15-28)20-9-5-8-19(23)16-20/h2-11,16-17H,12-15H2,1H3,(H,24,25,26).
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 393.92 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112890706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).