4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

C10H13N5 — CID 18008465

IUPAC4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(N2CCNCC2)c2cc[nH]c2n1
InChIInChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)
InChIKeyLZSXQBNNRGZPES-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.37
Rot. Bonds1

About 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 18008465) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID18008465
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(N2CCNCC2)c2cc[nH]c2n1
InChIInChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)
InChIKeyLZSXQBNNRGZPES-UHFFFAOYSA-N
XLogP0.37
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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PF-956980
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7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-
CID 5356682
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CID 5359620
2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine
CID 14116871
7H-Pyrrolo(2,3-d)pyrimidine
CID 261591
5H-Pyrrolo[2,3-b]pyrazine
CID 5370803
7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 265827
6-Pyrrolidino-7-deazapurine
CID 4428602
2-N-((1S)-1-(5-Fluoropyrimidin-2-yl)ethyl)-4-N-(1-methylimidazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 45275255
N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 18008465) is 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine is c1nc(N2CCNCC2)c2cc[nH]c2n1.
What is the InChIKey of 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is LZSXQBNNRGZPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14).
What are the key properties of 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 203.25 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 18008465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).