4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol

C22H20N4O — CID 118025950

IUPAC4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol
SMILESNc1ncnc2c(C3CCc4ccccc4C3)cn(-c3ccc(O)cc3)c12
InChIInChI=1S/C22H20N4O/c23-22-21-20(24-13-25-22)19(12-26(21)17-7-9-18(27)10-8-17)16-6-5-14-3-1-2-4-15(14)11-16/h1-4,7-10,12-13,16,27H,5-6,11H2,(H2,23,24,25)
InChIKeyAHJRCVKTLITZSJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.98
Rot. Bonds2

About 4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol

4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol (PubChem CID 118025950) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol
PubChem CID118025950
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol
SMILESNc1ncnc2c(C3CCc4ccccc4C3)cn(-c3ccc(O)cc3)c12
InChIInChI=1S/C22H20N4O/c23-22-21-20(24-13-25-22)19(12-26(21)17-7-9-18(27)10-8-17)16-6-5-14-3-1-2-4-15(14)11-16/h1-4,7-10,12-13,16,27H,5-6,11H2,(H2,23,24,25)
InChIKeyAHJRCVKTLITZSJ-UHFFFAOYSA-N
XLogP3.98
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol
CID 54246096
5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine
CID 54533959
4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-one;ethane
CID 156857475
3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol
CID 66675899
4-[4-amino-7-(1-cyanopyrrolidin-3-yl)pyrrolo[3,2-d]pyrimidin-5-yl]benzamide
CID 145011106
1-[(3R)-3-[4-amino-5-(4-phenoxyphenyl)pyrrolo[3,2-d]pyrimidin-7-yl]piperidin-1-yl]prop-2-en-1-one
CID 138674150
5-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine
CID 90817562
5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine
CID 91538324
7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine
CID 67702236
5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol
CID 118034583
(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 53322291
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
CID 68856082

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol?
The IUPAC name of 4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol (CID 118025950) is 4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol.
What is the SMILES notation for 4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol?
The canonical SMILES for 4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol is Nc1ncnc2c(C3CCc4ccccc4C3)cn(-c3ccc(O)cc3)c12.
What is the InChIKey of 4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol?
The InChIKey is AHJRCVKTLITZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c23-22-21-20(24-13-25-22)19(12-26(21)17-7-9-18(27)10-8-17)16-6-5-14-3-1-2-4-15(14)11-16/h1-4,7-10,12-13,16,27H,5-6,11H2,(H2,23,24,25).
What are the key properties of 4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol?
4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol has a molecular weight of 356.43 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol is sourced from PubChem (CID 118025950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).