[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol

C16H23N3O3 — CID 155738609

IUPAC[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol
SMILESCC(C)(O)O.Cc1ncnc2c1ccn2C1C=C(CO)CC1
InChIInChI=1S/C13H15N3O.C3H8O2/c1-9-12-4-5-16(13(12)15-8-14-9)11-3-2-10(6-11)7-17;1-3(2,4)5/h4-6,8,11,17H,2-3,7H2,1H3;4-5H,1-2H3
InChIKeyJRMYMYVAOAGRHP-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.70
Rot. Bonds2

About [3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol

[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol (PubChem CID 155738609) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol.

Molecular Properties

Compound Name[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol
PubChem CID155738609
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol
SMILESCC(C)(O)O.Cc1ncnc2c1ccn2C1C=C(CO)CC1
InChIInChI=1S/C13H15N3O.C3H8O2/c1-9-12-4-5-16(13(12)15-8-14-9)11-3-2-10(6-11)7-17;1-3(2,4)5/h4-6,8,11,17H,2-3,7H2,1H3;4-5H,1-2H3
InChIKeyJRMYMYVAOAGRHP-UHFFFAOYSA-N
XLogP1.70
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol 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

7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine
CID 167150333
7-[3-[2-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]cyclopent-2-en-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155738667
[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-methylcyclopenten-1-yl]methanol
CID 138748464
7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine
CID 138748394
[(1R,4R)-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopent-2-en-1-yl]methyl sulfamate
CID 58944575
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine
CID 138748501
bis[(1S,2S,3S,4R)-2,3-dihydroxy-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl] carbonate
CID 138521086
(3-chlorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 145143731
4,7-dimethylpyrrolo[2,3-d]pyrimidine
CID 58526542
2-[cyclopropyl(hydroxy)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 139538535
4-chloro-7-(3-ethylcyclopentyl)pyrrolo[2,3-d]pyrimidine;ethane;propane-2,2-diol
CID 155705514
(1S,3S,6R,7aS)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2,3,5,6,7,7a-hexahydro-1H-indene-1,6-diol
CID 170391836

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol?
The IUPAC name of [3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol (CID 155738609) is [3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol.
What is the SMILES notation for [3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol?
The canonical SMILES for [3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol is CC(C)(O)O.Cc1ncnc2c1ccn2C1C=C(CO)CC1.
What is the InChIKey of [3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol?
The InChIKey is JRMYMYVAOAGRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.C3H8O2/c1-9-12-4-5-16(13(12)15-8-14-9)11-3-2-10(6-11)7-17;1-3(2,4)5/h4-6,8,11,17H,2-3,7H2,1H3;4-5H,1-2H3.
What are the key properties of [3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol?
[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol has a molecular weight of 305.38 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol is sourced from PubChem (CID 155738609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).