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

C16H19N7 — CID 25130231

IUPAC4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-n3cnc4ccccc43)nc(N)n2)CC1
InChIInChI=1S/C16H19N7/c1-21-6-8-22(9-7-21)14-10-15(20-16(17)19-14)23-11-18-12-4-2-3-5-13(12)23/h2-5,10-11H,6-9H2,1H3,(H2,17,19,20)
InChIKeyORASKGHXIUEBCT-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.15
Rot. Bonds2

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

4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25130231) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25130231
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-n3cnc4ccccc43)nc(N)n2)CC1
InChIInChI=1S/C16H19N7/c1-21-6-8-22(9-7-21)14-10-15(20-16(17)19-14)23-11-18-12-4-2-3-5-13(12)23/h2-5,10-11H,6-9H2,1H3,(H2,17,19,20)
InChIKeyORASKGHXIUEBCT-UHFFFAOYSA-N
XLogP1.15
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25130231) is 4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(-n3cnc4ccccc43)nc(N)n2)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is ORASKGHXIUEBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-21-6-8-22(9-7-21)14-10-15(20-16(17)19-14)23-11-18-12-4-2-3-5-13(12)23/h2-5,10-11H,6-9H2,1H3,(H2,17,19,20).
What are the key properties of 4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 309.38 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25130231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).