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

C13H18N6 — CID 126853122

IUPAC2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine
SMILESCc1nccc(N2CCN(c3nccn3C)CC2)n1
InChIInChI=1S/C13H18N6/c1-11-14-4-3-12(16-11)18-7-9-19(10-8-18)13-15-5-6-17(13)2/h3-6H,7-10H2,1-2H3
InChIKeyGEHNZHKKRQRRRR-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.85
Rot. Bonds2

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

2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 126853122) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine
PubChem CID126853122
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine
SMILESCc1nccc(N2CCN(c3nccn3C)CC2)n1
InChIInChI=1S/C13H18N6/c1-11-14-4-3-12(16-11)18-7-9-19(10-8-18)13-15-5-6-17(13)2/h3-6H,7-10H2,1-2H3
InChIKeyGEHNZHKKRQRRRR-UHFFFAOYSA-N
XLogP0.85
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine (CID 126853122) is 2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine is Cc1nccc(N2CCN(c3nccn3C)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is GEHNZHKKRQRRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-11-14-4-3-12(16-11)18-7-9-19(10-8-18)13-15-5-6-17(13)2/h3-6H,7-10H2,1-2H3.
What are the key properties of 2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 258.33 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 126853122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).