2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine

C15H16Cl2N4O — CID 18432576

IUPAC2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(Cl)ncc2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H16Cl2N4O/c1-20-6-8-21(9-7-20)14-13(10-18-15(17)19-14)22-12-4-2-11(16)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyMTNQQBIYKDKMGM-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.33
Rot. Bonds3

About 2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine

2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 18432576) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID18432576
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(Cl)ncc2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H16Cl2N4O/c1-20-6-8-21(9-7-20)14-13(10-18-15(17)19-14)22-12-4-2-11(16)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyMTNQQBIYKDKMGM-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-(4-chlorophenoxy)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 18432492
2-[4-[5-(4-chlorophenoxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 18432503
1-(2,5-dichloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 79632687
5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 79076229
1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine
CID 138561291
1-(4-chlorophenyl)-3-[5-methoxy-6-(4-methylpiperazin-1-yl)-2-pyridinyl]imidazolidin-2-one
CID 53358810
2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
CID 143330280
2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride
CID 142636464
2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853598
6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde
CID 123546066
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
3-(2,5-dichloropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 79631998

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine (CID 18432576) is 2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2nc(Cl)ncc2Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is MTNQQBIYKDKMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-20-6-8-21(9-7-20)14-13(10-18-15(17)19-14)22-12-4-2-11(16)3-5-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine?
2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 339.23 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chlorophenoxy)-4-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 18432576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).