5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

C11H17ClN4 — CID 119103486

IUPAC5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCC(C)N1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C11H17ClN4/c1-9(2)15-3-5-16(6-4-15)11-13-7-10(12)8-14-11/h7-9H,3-6H2,1-2H3
InChIKeyAELBKUMTXKDLKM-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.66
Rot. Bonds2

About 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 119103486) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID119103486
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCC(C)N1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C11H17ClN4/c1-9(2)15-3-5-16(6-4-15)11-13-7-10(12)8-14-11/h7-9H,3-6H2,1-2H3
InChIKeyAELBKUMTXKDLKM-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
2-[4-(Propan-2-yl)piperazin-1-yl]pyrimidine
CID 13375504
2-(4-Methylpiperazin-1-yl)pyrimidine
CID 10329895
4-Chloro-2-(4-methylpiperazin-1-yl)pyrimidine
CID 21737481
2-(4-Methylpiperazin-1-Yl)Pyrimidin-5-Ylboronic Acid
CID 53216596
5-Chloro-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 86277751
2-(4,4-Dimethylpiperazin-4-ium-1-yl)pyrimidine iodide
CID 11034544
5-Bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine
CID 47053565
2-[4-(5-Chloropyrimidin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 71971823
2-[4-(5-Chloropyrimidin-2-yl)piperazin-1-yl]propanamide
CID 71973150
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72859157

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 119103486) is 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is CC(C)N1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is AELBKUMTXKDLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-9(2)15-3-5-16(6-4-15)11-13-7-10(12)8-14-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 240.74 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 119103486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).