5-chloro-2-piperazin-1-ylpyrimidine

C8H11ClN4 — CID 15684303

IUPAC5-chloro-2-piperazin-1-ylpyrimidine
SMILESClc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H11ClN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChIKeyCNHDTJAPQFANKE-UHFFFAOYSA-N
MW198.66 g/mol
LogP0.54
Rot. Bonds1

About 5-chloro-2-piperazin-1-ylpyrimidine

5-chloro-2-piperazin-1-ylpyrimidine (PubChem CID 15684303) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 5-chloro-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-chloro-2-piperazin-1-ylpyrimidine
PubChem CID15684303
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name5-chloro-2-piperazin-1-ylpyrimidine
SMILESClc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H11ClN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChIKeyCNHDTJAPQFANKE-UHFFFAOYSA-N
XLogP0.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
2-Pyrimidinamine, 5-chloro-
CID 79479
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
(5-Chloropyrimidin-2-yl)methanamine
CID 11018991
4-(2-Pyrimidinyl)-1-piperazinebutanamine
CID 12840705
1-(5-Bromopyrimidin-2-yl)piperazine
CID 2757175
5-Iodo-2-(piperazin-1-YL)pyrimidine
CID 15729876
4-Chloro-6-(piperazin-1-yl)pyrimidine
CID 16092266
1-(5-Chloropyrimidin-2-yl)methanamine hydrochloride
CID 75531030

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-piperazin-1-ylpyrimidine?
The IUPAC name of 5-chloro-2-piperazin-1-ylpyrimidine (CID 15684303) is 5-chloro-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-chloro-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-chloro-2-piperazin-1-ylpyrimidine is Clc1cnc(N2CCNCC2)nc1.
What is the InChIKey of 5-chloro-2-piperazin-1-ylpyrimidine?
The InChIKey is CNHDTJAPQFANKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2.
What are the key properties of 5-chloro-2-piperazin-1-ylpyrimidine?
5-chloro-2-piperazin-1-ylpyrimidine has a molecular weight of 198.66 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 15684303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).