4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C13H19N7 — CID 25130232

IUPAC4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cn(C)cn3)nc(N)n2)CC1
InChIInChI=1S/C13H19N7/c1-18-3-5-20(6-4-18)12-7-10(16-13(14)17-12)11-8-19(2)9-15-11/h7-9H,3-6H2,1-2H3,(H2,14,16,17)
InChIKeyHOVCESIYOTYPFP-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.21
Rot. Bonds2

About 4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25130232) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25130232
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cn(C)cn3)nc(N)n2)CC1
InChIInChI=1S/C13H19N7/c1-18-3-5-20(6-4-18)12-7-10(16-13(14)17-12)11-8-19(2)9-15-11/h7-9H,3-6H2,1-2H3,(H2,14,16,17)
InChIKeyHOVCESIYOTYPFP-UHFFFAOYSA-N
XLogP0.21
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25130232) is 4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(-c3cn(C)cn3)nc(N)n2)CC1.
What is the InChIKey of 4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is HOVCESIYOTYPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-18-3-5-20(6-4-18)12-7-10(16-13(14)17-12)11-8-19(2)9-15-11/h7-9H,3-6H2,1-2H3,(H2,14,16,17).
What are the key properties of 4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-4-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25130232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).