2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C11H9ClN4O — CID 134480512

IUPAC2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1nc(NCc2ccco2)c2cc[nH]c2n1
InChIInChI=1S/C11H9ClN4O/c12-11-15-9-8(3-4-13-9)10(16-11)14-6-7-2-1-5-17-7/h1-5H,6H2,(H2,13,14,15,16)
InChIKeyJQHXJFFGARONOR-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.82
Rot. Bonds3

About 2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134480512) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134480512
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1nc(NCc2ccco2)c2cc[nH]c2n1
InChIInChI=1S/C11H9ClN4O/c12-11-15-9-8(3-4-13-9)10(16-11)14-6-7-2-1-5-17-7/h1-5H,6H2,(H2,13,14,15,16)
InChIKeyJQHXJFFGARONOR-UHFFFAOYSA-N
XLogP2.82
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 134480512) is 2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Clc1nc(NCc2ccco2)c2cc[nH]c2n1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JQHXJFFGARONOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-11-15-9-8(3-4-13-9)10(16-11)14-6-7-2-1-5-17-7/h1-5H,6H2,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 248.67 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134480512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).