6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol

C15H15ClN4O — CID 155554086

IUPAC6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCNc1ncc2c(O)n(CCc3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C15H15ClN4O/c1-17-15-18-8-12-13(19-15)9-20(14(12)21)7-6-10-2-4-11(16)5-3-10/h2-5,8-9,21H,6-7H2,1H3,(H,17,19)
InChIKeyIJGIKEAJRSORIG-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.07
Rot. Bonds4

About 6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol

6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 155554086) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID155554086
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCNc1ncc2c(O)n(CCc3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C15H15ClN4O/c1-17-15-18-8-12-13(19-15)9-20(14(12)21)7-6-10-2-4-11(16)5-3-10/h2-5,8-9,21H,6-7H2,1H3,(H,17,19)
InChIKeyIJGIKEAJRSORIG-UHFFFAOYSA-N
XLogP3.07
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)imidazo[1,5-a]pyrazin-1-ol
CID 135449736
2-[3-(4-Chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135416444
2-(2-Aminoimidazo[4,5-c]pyridin-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90681920
(3Z)-1-[(4-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]indol-2-one
CID 5197153
4-{3-[(4-Chlorophenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
CID 3687610
6-(3-Methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155540987
2-(Dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155541503
2-(Ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155542594
6-[2-(4-Fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155544389
6-[(3-Fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155545665
2-(Methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol
CID 155547528
2-(4-Chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine
CID 155548566

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol (CID 155554086) is 6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol is CNc1ncc2c(O)n(CCc3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is IJGIKEAJRSORIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-17-15-18-8-12-13(19-15)9-20(14(12)21)7-6-10-2-4-11(16)5-3-10/h2-5,8-9,21H,6-7H2,1H3,(H,17,19).
What are the key properties of 6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol?
6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 302.77 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 155554086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).