6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C11H16N6 — CID 71518536

IUPAC6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CCNCC3)nc(N)nc2[nH]1
InChIInChI=1S/C11H16N6/c1-7-6-8-9(14-7)15-11(12)16-10(8)17-4-2-13-3-5-17/h6,13H,2-5H2,1H3,(H3,12,14,15,16)
InChIKeyVMDICCKYPJYIFG-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.26
Rot. Bonds1

About 6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 71518536) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID71518536
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CCNCC3)nc(N)nc2[nH]1
InChIInChI=1S/C11H16N6/c1-7-6-8-9(14-7)15-11(12)16-10(8)17-4-2-13-3-5-17/h6,13H,2-5H2,1H3,(H3,12,14,15,16)
InChIKeyVMDICCKYPJYIFG-UHFFFAOYSA-N
XLogP0.26
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 71518536) is 6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1cc2c(N3CCNCC3)nc(N)nc2[nH]1.
What is the InChIKey of 6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is VMDICCKYPJYIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-6-8-9(14-7)15-11(12)16-10(8)17-4-2-13-3-5-17/h6,13H,2-5H2,1H3,(H3,12,14,15,16).
What are the key properties of 6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 71518536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).