6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine

C21H22ClN5O — CID 112863144

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(Nc2cc(N3CCN(c4cccc(Cl)c4)CC3)ncn2)c1
InChIInChI=1S/C21H22ClN5O/c1-28-19-7-3-5-17(13-19)25-20-14-21(24-15-23-20)27-10-8-26(9-11-27)18-6-2-4-16(22)12-18/h2-7,12-15H,8-11H2,1H3,(H,23,24,25)
InChIKeyKDNOZMDWSFCFOH-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.21
Rot. Bonds5

About 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 112863144) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
PubChem CID112863144
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(Nc2cc(N3CCN(c4cccc(Cl)c4)CC3)ncn2)c1
InChIInChI=1S/C21H22ClN5O/c1-28-19-7-3-5-17(13-19)25-20-14-21(24-15-23-20)27-10-8-26(9-11-27)18-6-2-4-16(22)12-18/h2-7,12-15H,8-11H2,1H3,(H,23,24,25)
InChIKeyKDNOZMDWSFCFOH-UHFFFAOYSA-N
XLogP4.21
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine
CID 112863146
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909400
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856701
N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874751
methyl 2-[[1-[6-(3-chloroanilino)pyrimidin-4-yl]piperidin-4-yl]amino]acetate
CID 70207493
N-(2-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112864713
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154853650
[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109353170
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
1-(3-chlorophenyl)-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544025
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862304
N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862274

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine (CID 112863144) is 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine is COc1cccc(Nc2cc(N3CCN(c4cccc(Cl)c4)CC3)ncn2)c1.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is KDNOZMDWSFCFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-28-19-7-3-5-17(13-19)25-20-14-21(24-15-23-20)27-10-8-26(9-11-27)18-6-2-4-16(22)12-18/h2-7,12-15H,8-11H2,1H3,(H,23,24,25).
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine?
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 395.89 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112863144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).