4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol

C12H16ClN3O2 — CID 129302340

IUPAC4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOCC1CC(N2CCc3c(Cl)ncnc32)CC1O
InChIInChI=1S/C12H16ClN3O2/c13-11-9-1-2-16(12(9)15-6-14-11)8-3-7(5-17)10(18)4-8/h6-8,10,17-18H,1-5H2
InChIKeyPFMLKONUMOITHZ-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.62
Rot. Bonds2

About 4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol

4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 129302340) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID129302340
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOCC1CC(N2CCc3c(Cl)ncnc32)CC1O
InChIInChI=1S/C12H16ClN3O2/c13-11-9-1-2-16(12(9)15-6-14-11)8-3-7(5-17)10(18)4-8/h6-8,10,17-18H,1-5H2
InChIKeyPFMLKONUMOITHZ-UHFFFAOYSA-N
XLogP0.62
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol with MolForge

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Related Compounds

(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87802918
(1S,2R,4R)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87314860
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 14104444
(1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol
CID 86686872
(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol
CID 101423148
5-(hydroxymethyl)cyclohexane-1,2,4-triol
CID 148585059
(1R,2S,5R)-3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 146602862
3-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4H-triazolo[4,5-d]pyrimidine-7-thione
CID 135488752
(1R,3R,5R)-3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 159888953
7-[(3aR,6R,6aS)-4-ethenyl-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 167185638
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
8-(6-chloro-5-propylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769479

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of 4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol (CID 129302340) is 4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for 4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for 4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol is OCC1CC(N2CCc3c(Cl)ncnc32)CC1O.
What is the InChIKey of 4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is PFMLKONUMOITHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-9-1-2-16(12(9)15-6-14-11)8-3-7(5-17)10(18)4-8/h6-8,10,17-18H,1-5H2.
What are the key properties of 4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol?
4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 269.73 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 129302340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).