3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol

C19H19N5O2S — CID 24889765

IUPAC3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2nccs2)c1
InChIInChI=1S/C19H19N5O2S/c25-14-3-1-2-13(12-14)16-15-4-6-24(19-20-5-11-27-19)17(15)22-18(21-16)23-7-9-26-10-8-23/h1-3,5,11-12,25H,4,6-10H2
InChIKeyIJEXEUSITATEGK-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.84
Rot. Bonds3

About 3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol

3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol (PubChem CID 24889765) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
PubChem CID24889765
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2nccs2)c1
InChIInChI=1S/C19H19N5O2S/c25-14-3-1-2-13(12-14)16-15-4-6-24(19-20-5-11-27-19)17(15)22-18(21-16)23-7-9-26-10-8-23/h1-3,5,11-12,25H,4,6-10H2
InChIKeyIJEXEUSITATEGK-UHFFFAOYSA-N
XLogP2.84
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbaldehyde
CID 24888238
3-[7-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
CID 59244721
3-[7-(1,3-benzothiazol-6-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol;2,2,2-trifluoroacetic acid
CID 67385462
3-[7-(2-chlorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol;2,2,2-trifluoroacetic acid
CID 67385238
3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
CID 24889763
3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfinic acid
CID 59244525
N-[4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbonyl]phenyl]acetamide
CID 59244869
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937
[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanol
CID 59244893
3-[7-[2-(3,3-dimethylbutylamino)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol;2,2,2-trifluoroacetic acid
CID 67385625
[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 59244397

Frequently Asked Questions

What is the IUPAC name of 3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The IUPAC name of 3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol (CID 24889765) is 3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol is Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2nccs2)c1.
What is the InChIKey of 3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The InChIKey is IJEXEUSITATEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-14-3-1-2-13(12-14)16-15-4-6-24(19-20-5-11-27-19)17(15)22-18(21-16)23-7-9-26-10-8-23/h1-3,5,11-12,25H,4,6-10H2.
What are the key properties of 3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol has a molecular weight of 381.46 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 24889765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).