4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine

C17H21N7 — CID 70750041

IUPAC4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3ccnc4c3ccn4C)nc(N)n2)CC1
InChIInChI=1S/C17H21N7/c1-22-7-9-24(10-8-22)15-11-14(20-17(18)21-15)12-3-5-19-16-13(12)4-6-23(16)2/h3-6,11H,7-10H2,1-2H3,(H2,18,20,21)
InChIKeyKJFVQZLSCMGRIQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.36
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine (PubChem CID 70750041) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
PubChem CID70750041
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3ccnc4c3ccn4C)nc(N)n2)CC1
InChIInChI=1S/C17H21N7/c1-22-7-9-24(10-8-22)15-11-14(20-17(18)21-15)12-3-5-19-16-13(12)4-6-23(16)2/h3-6,11H,7-10H2,1-2H3,(H2,18,20,21)
InChIKeyKJFVQZLSCMGRIQ-UHFFFAOYSA-N
XLogP1.36
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine (CID 70750041) is 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine is CN1CCN(c2cc(-c3ccnc4c3ccn4C)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
The InChIKey is KJFVQZLSCMGRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-22-7-9-24(10-8-22)15-11-14(20-17(18)21-15)12-3-5-19-16-13(12)4-6-23(16)2/h3-6,11H,7-10H2,1-2H3,(H2,18,20,21).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 70750041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).