2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine

C12H16N6 — CID 174330494

IUPAC2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(Cc3cnc[nH]3)CC2)nc1
InChIInChI=1S/C12H16N6/c1-2-14-12(15-3-1)18-6-4-17(5-7-18)9-11-8-13-10-16-11/h1-3,8,10H,4-7,9H2,(H,13,16)
InChIKeyURRDCPJMHQEIDB-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.52
Rot. Bonds3

About 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine

2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 174330494) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID174330494
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(Cc3cnc[nH]3)CC2)nc1
InChIInChI=1S/C12H16N6/c1-2-14-12(15-3-1)18-6-4-17(5-7-18)9-11-8-13-10-16-11/h1-3,8,10H,4-7,9H2,(H,13,16)
InChIKeyURRDCPJMHQEIDB-UHFFFAOYSA-N
XLogP0.52
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine (CID 174330494) is 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine is c1cnc(N2CCN(Cc3cnc[nH]3)CC2)nc1.
What is the InChIKey of 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is URRDCPJMHQEIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-2-14-12(15-3-1)18-6-4-17(5-7-18)9-11-8-13-10-16-11/h1-3,8,10H,4-7,9H2,(H,13,16).
What are the key properties of 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine?
2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 244.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 174330494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).