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

C12H17N7 — CID 25130230

IUPAC4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-n3ccnc3)nc(N)n2)CC1
InChIInChI=1S/C12H17N7/c1-17-4-6-18(7-5-17)10-8-11(16-12(13)15-10)19-3-2-14-9-19/h2-3,8-9H,4-7H2,1H3,(H2,13,15,16)
InChIKeyOGCXUIJSMCCAKM-UHFFFAOYSA-N
MW259.32 g/mol
LogP-0.00
Rot. Bonds2

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

4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25130230) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25130230
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-n3ccnc3)nc(N)n2)CC1
InChIInChI=1S/C12H17N7/c1-17-4-6-18(7-5-17)10-8-11(16-12(13)15-10)19-3-2-14-9-19/h2-3,8-9H,4-7H2,1H3,(H2,13,15,16)
InChIKeyOGCXUIJSMCCAKM-UHFFFAOYSA-N
XLogP-0.00
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25130230) is 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(-n3ccnc3)nc(N)n2)CC1.
What is the InChIKey of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is OGCXUIJSMCCAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-17-4-6-18(7-5-17)10-8-11(16-12(13)15-10)19-3-2-14-9-19/h2-3,8-9H,4-7H2,1H3,(H2,13,15,16).
What are the key properties of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 259.32 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25130230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).