4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine

C12H16N6 — CID 10657936

IUPAC4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C12H16N6/c1-16-4-6-17(7-5-16)11-8-12(15-9-14-11)18-3-2-13-10-18/h2-3,8-10H,4-7H2,1H3
InChIKeyIYZHTMUYJMWCCH-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.41
Rot. Bonds2

About 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine

4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 10657936) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID10657936
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C12H16N6/c1-16-4-6-17(7-5-16)11-8-12(15-9-14-11)18-3-2-13-10-18/h2-3,8-10H,4-7H2,1H3
InChIKeyIYZHTMUYJMWCCH-UHFFFAOYSA-N
XLogP0.41
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine (CID 10657936) is 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is IYZHTMUYJMWCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-16-4-6-17(7-5-16)11-8-12(15-9-14-11)18-3-2-13-10-18/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine?
4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 244.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 10657936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).