7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine

C14H19N3O2 — CID 70817519

IUPAC7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine
SMILESC[C@@H](COC1CCCCO1)n1ccc2cncnc21
InChIInChI=1S/C14H19N3O2/c1-11(9-19-13-4-2-3-7-18-13)17-6-5-12-8-15-10-16-14(12)17/h5-6,8,10-11,13H,2-4,7,9H2,1H3/t11-,13?/m0/s1
InChIKeyILFOUBGVORMQIQ-AMGKYWFPSA-N
MW261.32 g/mol
LogP2.54
Rot. Bonds4

About 7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine

7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine (PubChem CID 70817519) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine
PubChem CID70817519
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine
SMILESC[C@@H](COC1CCCCO1)n1ccc2cncnc21
InChIInChI=1S/C14H19N3O2/c1-11(9-19-13-4-2-3-7-18-13)17-6-5-12-8-15-10-16-14(12)17/h5-6,8,10-11,13H,2-4,7,9H2,1H3/t11-,13?/m0/s1
InChIKeyILFOUBGVORMQIQ-AMGKYWFPSA-N
XLogP2.54
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-7-[(2S)-1-[(2R)-oxan-2-yl]oxypropan-2-yl]pyrrolo[2,3-d]pyrimidine
CID 124640504
N-[5-[7-[1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 70855730
5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine
CID 123399905
2-(4-bromo-2,3-dimethylbutoxy)oxane
CID 14731941
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
8-methyl-9-(oxan-2-yl)purine
CID 133062486
2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane
CID 10475739
[2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane
CID 140697805
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
[3-(2-methylimidazol-1-yl)-1-(oxan-2-yloxy)butan-2-yl] 4-iodobenzoate
CID 68996571

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine (CID 70817519) is 7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine is C[C@@H](COC1CCCCO1)n1ccc2cncnc21.
What is the InChIKey of 7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is ILFOUBGVORMQIQ-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(9-19-13-4-2-3-7-18-13)17-6-5-12-8-15-10-16-14(12)17/h5-6,8,10-11,13H,2-4,7,9H2,1H3/t11-,13?/m0/s1.
What are the key properties of 7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine?
7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 261.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 70817519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).