2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine

C11H15N5 — CID 84682986

IUPAC2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCNCC2)c2[nH]ccc2n1
InChIInChI=1S/C11H15N5/c1-8-14-9-2-3-13-10(9)11(15-8)16-6-4-12-5-7-16/h2-3,12-13H,4-7H2,1H3
InChIKeyLPINNZJHGLNTLQ-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.68
Rot. Bonds1

About 2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine

2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 84682986) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID84682986
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCNCC2)c2[nH]ccc2n1
InChIInChI=1S/C11H15N5/c1-8-14-9-2-3-13-10(9)11(15-8)16-6-4-12-5-7-16/h2-3,12-13H,4-7H2,1H3
InChIKeyLPINNZJHGLNTLQ-UHFFFAOYSA-N
XLogP0.68
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 84682986) is 2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CCNCC2)c2[nH]ccc2n1.
What is the InChIKey of 2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is LPINNZJHGLNTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-14-9-2-3-13-10(9)11(15-8)16-6-4-12-5-7-16/h2-3,12-13H,4-7H2,1H3.
What are the key properties of 2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 217.28 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 84682986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).