4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine

C14H16ClN5 — CID 117211243

IUPAC4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine
SMILESNc1ncc(N2CCNCC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN5/c15-11-4-2-1-3-10(11)13-12(9-18-14(16)19-13)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2,(H2,16,18,19)
InChIKeyRLPRXNFZXRTAJP-UHFFFAOYSA-N
MW289.77 g/mol
LogP1.79
Rot. Bonds2

About 4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine

4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine (PubChem CID 117211243) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine
PubChem CID117211243
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine
SMILESNc1ncc(N2CCNCC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN5/c15-11-4-2-1-3-10(11)13-12(9-18-14(16)19-13)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2,(H2,16,18,19)
InChIKeyRLPRXNFZXRTAJP-UHFFFAOYSA-N
XLogP1.79
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211251
1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
5-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 155529844
4-(2-chlorophenyl)-5-methylpyrimidin-2-amine
CID 68614881
1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
CID 157420030
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 175859673
2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211903
2-(5-piperazin-1-ylpyrimidin-4-yl)phenol
CID 136934499
1-(2-bromo-3-chlorophenyl)piperazine
CID 83744852
2-(2-piperazin-1-ylphenyl)aniline
CID 118221589
6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine
CID 137481303

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine (CID 117211243) is 4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine is Nc1ncc(N2CCNCC2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is RLPRXNFZXRTAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-11-4-2-1-3-10(11)13-12(9-18-14(16)19-13)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2,(H2,16,18,19).
What are the key properties of 4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine?
4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 289.77 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 117211243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).