2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C17H19N3O — CID 114740741

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(C2COc3ccccc3C2)nc2c1CNC2
InChIInChI=1S/C17H19N3O/c1-2-14-13-8-18-9-15(13)20-17(19-14)12-7-11-5-3-4-6-16(11)21-10-12/h3-6,12,18H,2,7-10H2,1H3
InChIKeyUKDQGGYCYYHZMX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.36
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740741) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740741
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(C2COc3ccccc3C2)nc2c1CNC2
InChIInChI=1S/C17H19N3O/c1-2-14-13-8-18-9-15(13)20-17(19-14)12-7-11-5-3-4-6-16(11)21-10-12/h3-6,12,18H,2,7-10H2,1H3
InChIKeyUKDQGGYCYYHZMX-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine with MolForge

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Related Compounds

4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
CID 65407928
2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65405035
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742521
2-(3,4-dihydro-2H-chromen-3-yl)-6-methylpyrimidin-4-amine
CID 65406183
2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine
CID 65406387
N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65405832
5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
CID 102618251
(1S)-1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900174
5-(2-chloroethyl)-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazole
CID 65415288
2-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 65412681
2-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81066199
N-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 65412889

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740741) is 2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1nc(C2COc3ccccc3C2)nc2c1CNC2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is UKDQGGYCYYHZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-14-13-8-18-9-15(13)20-17(19-14)12-7-11-5-3-4-6-16(11)21-10-12/h3-6,12,18H,2,7-10H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 281.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).