7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine

C13H17N3O — CID 154947058

IUPAC7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc2c1ccn2C1CCCCC1
InChIInChI=1S/C13H17N3O/c1-17-13-11-7-8-16(12(11)14-9-15-13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyFAWZGTBISSGBEO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.95
Rot. Bonds2

About 7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine

7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine (PubChem CID 154947058) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine
PubChem CID154947058
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc2c1ccn2C1CCCCC1
InChIInChI=1S/C13H17N3O/c1-17-13-11-7-8-16(12(11)14-9-15-13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyFAWZGTBISSGBEO-UHFFFAOYSA-N
XLogP2.95
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol
CID 162472566
(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane
CID 174723227
[(1R,2R,4R,5S)-4-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 87571733
methyl 3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1-carboxylate
CID 167461313
N-(2-fluoroethyl)-7-[2-[3-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]quinolin-2-amine
CID 170081026
3-bromo-N-[[5-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]-N-methylquinolin-7-amine
CID 145263601
7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 78021068
propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 44621891
7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 167928357
methyl N-[(1S,2S,4R)-4-[4-[(4-chlorophenyl)methoxy]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]sulfamate
CID 141445536
4-[3-[[4-[4-[2-(dimethylamino)ethoxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]methyl]azetidin-1-yl]benzonitrile
CID 177374439
propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 44622021

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine (CID 154947058) is 7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine is COc1ncnc2c1ccn2C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine?
The InChIKey is FAWZGTBISSGBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-13-11-7-8-16(12(11)14-9-15-13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3.
What are the key properties of 7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine?
7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 154947058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).