2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C14H15N3O — CID 114740581

IUPAC2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOC(c1ccccc1)c1ncc2c(n1)CNC2
InChIInChI=1S/C14H15N3O/c1-18-13(10-5-3-2-4-6-10)14-16-8-11-7-15-9-12(11)17-14/h2-6,8,13,15H,7,9H2,1H3
InChIKeyXYIACGGBCCNISS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.82
Rot. Bonds3

About 2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740581) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740581
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOC(c1ccccc1)c1ncc2c(n1)CNC2
InChIInChI=1S/C14H15N3O/c1-18-13(10-5-3-2-4-6-10)14-16-8-11-7-15-9-12(11)17-14/h2-6,8,13,15H,7,9H2,1H3
InChIKeyXYIACGGBCCNISS-UHFFFAOYSA-N
XLogP1.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,5R)-5-(2-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 72188905
(2R,3S,5R)-5-[2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 16725327
(2R,3S,5R)-5-(2-cyclopropyl-7,7-dimethyl-5H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-(2,5-difluorophenyl)oxan-3-amine
CID 73353757
5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325698
(2R,3S,5R)-5-(2-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(2,5-difluorophenyl)oxepan-3-amine
CID 89728260
(2R,3S,5R)-5-(2-cyclopropyl-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-(2,5-difluorophenyl)oxan-3-amine
CID 73352283
5,5,7,7-Tetramethyl-2-phenylfuro[3,4-d]pyrimidine
CID 12720265
5-(4-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
CID 66509687
5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
CID 66509696
2-(5-Pyrimidin-5-yl-2-pyridinyl)morpholine
CID 73439790
4-[(2S)-oxolan-2-yl]-N-propan-2-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 73945459
5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine
CID 118740977

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740581) is 2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COC(c1ccccc1)c1ncc2c(n1)CNC2.
What is the InChIKey of 2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is XYIACGGBCCNISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-13(10-5-3-2-4-6-10)14-16-8-11-7-15-9-12(11)17-14/h2-6,8,13,15H,7,9H2,1H3.
What are the key properties of 2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 241.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).