4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C10H13N5 — CID 71138081

IUPAC4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCC2)c2cc[nH]c2n1
InChIInChI=1S/C10H13N5/c11-10-13-8-7(3-4-12-8)9(14-10)15-5-1-2-6-15/h3-4H,1-2,5-6H2,(H3,11,12,13,14)
InChIKeyAZLCKCSXUACTMA-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.14
Rot. Bonds1

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

4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 71138081) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID71138081
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCC2)c2cc[nH]c2n1
InChIInChI=1S/C10H13N5/c11-10-13-8-7(3-4-12-8)9(14-10)15-5-1-2-6-15/h3-4H,1-2,5-6H2,(H3,11,12,13,14)
InChIKeyAZLCKCSXUACTMA-UHFFFAOYSA-N
XLogP1.14
TPSA70.83 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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 71138081) is 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Nc1nc(N2CCCC2)c2cc[nH]c2n1.
What is the InChIKey of 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is AZLCKCSXUACTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-10-13-8-7(3-4-12-8)9(14-10)15-5-1-2-6-15/h3-4H,1-2,5-6H2,(H3,11,12,13,14).
What are the key properties of 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 203.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 71138081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).