3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol

C17H18N4O2 — CID 97069435

IUPAC3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol
SMILESCc1nc(N2CCO[C@H](c3cccc(O)c3)C2)c2cc[nH]c2n1
InChIInChI=1S/C17H18N4O2/c1-11-19-16-14(5-6-18-16)17(20-11)21-7-8-23-15(10-21)12-3-2-4-13(22)9-12/h2-6,9,15,22H,7-8,10H2,1H3,(H,18,19,20)/t15-/m0/s1
InChIKeyIAQYHWLOADQUAI-HNNXBMFYSA-N
MW310.36 g/mol
LogP2.55
Rot. Bonds2

About 3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol

3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol (PubChem CID 97069435) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol.

Molecular Properties

Compound Name3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol
PubChem CID97069435
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol
SMILESCc1nc(N2CCO[C@H](c3cccc(O)c3)C2)c2cc[nH]c2n1
InChIInChI=1S/C17H18N4O2/c1-11-19-16-14(5-6-18-16)17(20-11)21-7-8-23-15(10-21)12-3-2-4-13(22)9-12/h2-6,9,15,22H,7-8,10H2,1H3,(H,18,19,20)/t15-/m0/s1
InChIKeyIAQYHWLOADQUAI-HNNXBMFYSA-N
XLogP2.55
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol with MolForge

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Related Compounds

3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol
CID 97069419
3-[(2R)-4-(3-fluoro-2-pyridinyl)morpholin-2-yl]phenol
CID 97069433
3-[4-(3-ethyl-2-methylquinolin-4-yl)morpholin-2-yl]phenol
CID 133438456
2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 67258807
6-[2-(3-hydroxyphenyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122054423
3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol
CID 97069431
[(2R)-2-(3-hydroxyphenyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97233500
azepan-1-yl-[(3R)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 96567439
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone
CID 97066824
4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine
CID 138042922
(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 96566817
4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 123482741

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol?
The IUPAC name of 3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol (CID 97069435) is 3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol.
What is the SMILES notation for 3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol?
The canonical SMILES for 3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol is Cc1nc(N2CCO[C@H](c3cccc(O)c3)C2)c2cc[nH]c2n1.
What is the InChIKey of 3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol?
The InChIKey is IAQYHWLOADQUAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-19-16-14(5-6-18-16)17(20-11)21-7-8-23-15(10-21)12-3-2-4-13(22)9-12/h2-6,9,15,22H,7-8,10H2,1H3,(H,18,19,20)/t15-/m0/s1.
What are the key properties of 3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol?
3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol has a molecular weight of 310.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol is sourced from PubChem (CID 97069435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).