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

C16H18N4O — CID 155547528

IUPAC2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCNc1ncc2c(O)n(CCc3ccc(C)cc3)cc2n1
InChIInChI=1S/C16H18N4O/c1-11-3-5-12(6-4-11)7-8-20-10-14-13(15(20)21)9-18-16(17-2)19-14/h3-6,9-10,21H,7-8H2,1-2H3,(H,17,19)
InChIKeyLOQDWSFKEUFXBV-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.73
Rot. Bonds4

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

2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 155547528) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID155547528
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCNc1ncc2c(O)n(CCc3ccc(C)cc3)cc2n1
InChIInChI=1S/C16H18N4O/c1-11-3-5-12(6-4-11)7-8-20-10-14-13(15(20)21)9-18-16(17-2)19-14/h3-6,9-10,21H,7-8H2,1-2H3,(H,17,19)
InChIKeyLOQDWSFKEUFXBV-UHFFFAOYSA-N
XLogP2.73
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 448912
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CID 44468332
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CID 15897928
CID 15897928
CID 15990343
CID 15990343
CID 44539387
CID 44539387
CID 66794115
CID 66794115
CID 164616659
CID 164616659
CID 3920214
CID 3920214
CID 4831610
CID 4831610
CID 7338267
CID 7338267
CID 44419989
CID 44419989
CID 44419999
CID 44419999

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol (CID 155547528) is 2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol is CNc1ncc2c(O)n(CCc3ccc(C)cc3)cc2n1.
What is the InChIKey of 2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is LOQDWSFKEUFXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-3-5-12(6-4-11)7-8-20-10-14-13(15(20)21)9-18-16(17-2)19-14/h3-6,9-10,21H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol?
2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 282.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 155547528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).