2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C12H13N5O — CID 118708944

IUPAC2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2nc(N)nc(OC3CCCC3)c12
InChIInChI=1S/C12H13N5O/c13-5-7-6-15-10-9(7)11(17-12(14)16-10)18-8-3-1-2-4-8/h6,8H,1-4H2,(H3,14,15,16,17)
InChIKeyKAOXXNDNIRGOGC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.73
Rot. Bonds2

About 2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 118708944) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID118708944
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2nc(N)nc(OC3CCCC3)c12
InChIInChI=1S/C12H13N5O/c13-5-7-6-15-10-9(7)11(17-12(14)16-10)18-8-3-1-2-4-8/h6,8H,1-4H2,(H3,14,15,16,17)
InChIKeyKAOXXNDNIRGOGC-UHFFFAOYSA-N
XLogP1.73
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 118708944) is 2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1c[nH]c2nc(N)nc(OC3CCCC3)c12.
What is the InChIKey of 2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is KAOXXNDNIRGOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-5-7-6-15-10-9(7)11(17-12(14)16-10)18-8-3-1-2-4-8/h6,8H,1-4H2,(H3,14,15,16,17).
What are the key properties of 2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 118708944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).