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

C11H14N4 — CID 67258807

IUPAC2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(N2CCCC2)c2cc[nH]c2n1
InChIInChI=1S/C11H14N4/c1-8-13-10-9(4-5-12-10)11(14-8)15-6-2-3-7-15/h4-5H,2-3,6-7H2,1H3,(H,12,13,14)
InChIKeyCSRQWQMGTDFBIK-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.87
Rot. Bonds1

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

2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 67258807) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID67258807
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(N2CCCC2)c2cc[nH]c2n1
InChIInChI=1S/C11H14N4/c1-8-13-10-9(4-5-12-10)11(14-8)15-6-2-3-7-15/h4-5H,2-3,6-7H2,1H3,(H,12,13,14)
InChIKeyCSRQWQMGTDFBIK-UHFFFAOYSA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 67258807) is 2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine is Cc1nc(N2CCCC2)c2cc[nH]c2n1.
What is the InChIKey of 2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is CSRQWQMGTDFBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-13-10-9(4-5-12-10)11(14-8)15-6-2-3-7-15/h4-5H,2-3,6-7H2,1H3,(H,12,13,14).
What are the key properties of 2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 202.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 67258807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).