[1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol

C12H16N4O — CID 175667978

IUPAC[1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol
SMILESOCC1(Nc2ncnc3[nH]ccc23)CCCC1
InChIInChI=1S/C12H16N4O/c17-7-12(4-1-2-5-12)16-11-9-3-6-13-10(9)14-8-15-11/h3,6,8,17H,1-2,4-5,7H2,(H2,13,14,15,16)
InChIKeyWBNKWKYRGAWNJC-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.67
Rot. Bonds3

About [1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol

[1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol (PubChem CID 175667978) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol
PubChem CID175667978
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol
SMILESOCC1(Nc2ncnc3[nH]ccc23)CCCC1
InChIInChI=1S/C12H16N4O/c17-7-12(4-1-2-5-12)16-11-9-3-6-13-10(9)14-8-15-11/h3,6,8,17H,1-2,4-5,7H2,(H2,13,14,15,16)
InChIKeyWBNKWKYRGAWNJC-UHFFFAOYSA-N
XLogP1.67
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol?
The IUPAC name of [1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol (CID 175667978) is [1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol?
The canonical SMILES for [1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol is OCC1(Nc2ncnc3[nH]ccc23)CCCC1.
What is the InChIKey of [1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol?
The InChIKey is WBNKWKYRGAWNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-7-12(4-1-2-5-12)16-11-9-3-6-13-10(9)14-8-15-11/h3,6,8,17H,1-2,4-5,7H2,(H2,13,14,15,16).
What are the key properties of [1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol?
[1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol has a molecular weight of 232.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 175667978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).