5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine

C12H15ClN6 — CID 119103606

IUPAC5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine
SMILESCn1ccnc1N1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C12H15ClN6/c1-17-3-2-14-12(17)19-6-4-18(5-7-19)11-15-8-10(13)9-16-11/h2-3,8-9H,4-7H2,1H3
InChIKeyCJEUHMFGDZYUAH-UHFFFAOYSA-N
MW278.75 g/mol
LogP1.19
Rot. Bonds2

About 5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine

5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 119103606) has the molecular formula C12H15ClN6 and a molecular weight of 278.75 g/mol. Its IUPAC name is 5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine
PubChem CID119103606
Molecular FormulaC12H15ClN6
Molecular Weight278.75 g/mol
Exact Mass278.10
IUPAC Name5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine
SMILESCn1ccnc1N1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C12H15ClN6/c1-17-3-2-14-12(17)19-6-4-18(5-7-19)11-15-8-10(13)9-16-11/h2-3,8-9H,4-7H2,1H3
InChIKeyCJEUHMFGDZYUAH-UHFFFAOYSA-N
XLogP1.19
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine (CID 119103606) is 5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine is Cn1ccnc1N1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is CJEUHMFGDZYUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c1-17-3-2-14-12(17)19-6-4-18(5-7-19)11-15-8-10(13)9-16-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 278.75 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 119103606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).