4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine

C17H25N3 — CID 166898093

IUPAC4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC[C@H]1CCCCC(c2ncnc3[nH]ccc23)CCC1
InChIInChI=1S/C17H25N3/c1-2-13-6-3-4-8-14(9-5-7-13)16-15-10-11-18-17(15)20-12-19-16/h10-14H,2-9H2,1H3,(H,18,19,20)/t13-,14?/m0/s1
InChIKeyOQJDHHHVPLMGQF-LSLKUGRBSA-N
MW271.41 g/mol
LogP4.81
Rot. Bonds2

About 4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine

4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 166898093) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID166898093
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC[C@H]1CCCCC(c2ncnc3[nH]ccc23)CCC1
InChIInChI=1S/C17H25N3/c1-2-13-6-3-4-8-14(9-5-7-13)16-15-10-11-18-17(15)20-12-19-16/h10-14H,2-9H2,1H3,(H,18,19,20)/t13-,14?/m0/s1
InChIKeyOQJDHHHVPLMGQF-LSLKUGRBSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane
CID 154505925
4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175879528
[3-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl] dihydrogen phosphate;propanenitrile
CID 174645704
4-[2-(2-cyclopentylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 25267714
4-[2-(2-cyclohexylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 25268056
N-cyclobutyl-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanesulfonamide
CID 59252667
N-cyclobutyl-N-methyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 118868782
4-ethyl-2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazole
CID 146084213
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172970961
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160618729
4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 142744353

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine (CID 166898093) is 4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine is CC[C@H]1CCCCC(c2ncnc3[nH]ccc23)CCC1.
What is the InChIKey of 4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is OQJDHHHVPLMGQF-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-13-6-3-4-8-14(9-5-7-13)16-15-10-11-18-17(15)20-12-19-16/h10-14H,2-9H2,1H3,(H,18,19,20)/t13-,14?/m0/s1.
What are the key properties of 4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 271.41 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 166898093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).