(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol

C12H14ClN3O — CID 86693573

IUPAC(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol
SMILESOCc1cc2cnc(Cl)nc2n1C1CCCC1
InChIInChI=1S/C12H14ClN3O/c13-12-14-6-8-5-10(7-17)16(11(8)15-12)9-3-1-2-4-9/h5-6,9,17H,1-4,7H2
InChIKeyADHCEFBFOBDYEC-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.69
Rot. Bonds2

About (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol

(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol (PubChem CID 86693573) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol.

Molecular Properties

Compound Name(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol
PubChem CID86693573
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol
SMILESOCc1cc2cnc(Cl)nc2n1C1CCCC1
InChIInChI=1S/C12H14ClN3O/c13-12-14-6-8-5-10(7-17)16(11(8)15-12)9-3-1-2-4-9/h5-6,9,17H,1-4,7H2
InChIKeyADHCEFBFOBDYEC-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 44626658
(1S,2R,5R)-3-(hydroxymethyl)-5-(4-methyl-5-vinyl-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopent-3-ene-1,2-diol
CID 71455865
(1S,2R,5R)-3-(hydroxymethyl)-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopent-3-ene-1,2-diol
CID 71459504
(Imidazo(1,2-a)pyridin-6-yl)methanol hydrochloride
CID 71748611
(1H-pyrrolo[2,3-b]pyridin-2-yl)methanol
CID 53273992
2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 58315427
Pyrimido[5',4':4,5]pyrrolo[2,1-c][1,4]oxazine
CID 129765318
1-[2-Chloro-7-[2-[[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl]pyrrolo[2,3-d]pyrimidin-6-yl]ethane-1,1-diol
CID 163676269
[1-[(4-Fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol
CID 90133482
(5-Fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol
CID 90720865
2-[6-[2-Chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol
CID 155146999
2-[6-(2-Chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol
CID 156275623

Frequently Asked Questions

What is the IUPAC name of (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol?
The IUPAC name of (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol (CID 86693573) is (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol.
What is the SMILES notation for (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol?
The canonical SMILES for (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol is OCc1cc2cnc(Cl)nc2n1C1CCCC1.
What is the InChIKey of (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol?
The InChIKey is ADHCEFBFOBDYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-12-14-6-8-5-10(7-17)16(11(8)15-12)9-3-1-2-4-9/h5-6,9,17H,1-4,7H2.
What are the key properties of (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol?
(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol has a molecular weight of 251.72 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol is sourced from PubChem (CID 86693573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).