(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol

C13H17N3O — CID 143541297

IUPAC(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol
SMILESOCC1CCC(n2ccc3cncnc32)CC1
InChIInChI=1S/C13H17N3O/c17-8-10-1-3-12(4-2-10)16-6-5-11-7-14-9-15-13(11)16/h5-7,9-10,12,17H,1-4,8H2
InChIKeyZRGWBPMNQZMEIE-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.15
Rot. Bonds2

About (4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol

(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol (PubChem CID 143541297) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol
PubChem CID143541297
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol
SMILESOCC1CCC(n2ccc3cncnc32)CC1
InChIInChI=1S/C13H17N3O/c17-8-10-1-3-12(4-2-10)16-6-5-11-7-14-9-15-13(11)16/h5-7,9-10,12,17H,1-4,8H2
InChIKeyZRGWBPMNQZMEIE-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;7-(5-ethylcyclooctyl)pyrrolo[2,3-d]pyrimidine
CID 143744456
tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane
CID 90093274
3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol
CID 162768100
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 142650218
(2R,3S,4S)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 70508300
N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane
CID 162389083
(2R,3R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol
CID 90689612
5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine
CID 176562674
(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol
CID 131524978
4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol
CID 136506485
7-ethylpyrrolo[2,3-d]pyrimidine
CID 69299985
7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine
CID 155185633

Frequently Asked Questions

What is the IUPAC name of (4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol?
The IUPAC name of (4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol (CID 143541297) is (4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol.
What is the SMILES notation for (4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol?
The canonical SMILES for (4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol is OCC1CCC(n2ccc3cncnc32)CC1.
What is the InChIKey of (4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol?
The InChIKey is ZRGWBPMNQZMEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-8-10-1-3-12(4-2-10)16-6-5-11-7-14-9-15-13(11)16/h5-7,9-10,12,17H,1-4,8H2.
What are the key properties of (4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol?
(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol has a molecular weight of 231.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol is sourced from PubChem (CID 143541297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).