4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C17H19N3O — CID 114739716

IUPAC4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCOc1cccc(-c2nc3c(c(C4CC4)n2)CNC3)c1
InChIInChI=1S/C17H19N3O/c1-2-21-13-5-3-4-12(8-13)17-19-15-10-18-9-14(15)16(20-17)11-6-7-11/h3-5,8,11,18H,2,6-7,9-10H2,1H3
InChIKeyICQXALQEYCLCST-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds4

About 4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739716) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739716
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCOc1cccc(-c2nc3c(c(C4CC4)n2)CNC3)c1
InChIInChI=1S/C17H19N3O/c1-2-21-13-5-3-4-12(8-13)17-19-15-10-18-9-14(15)16(20-17)11-6-7-11/h3-5,8,11,18H,2,6-7,9-10H2,1H3
InChIKeyICQXALQEYCLCST-UHFFFAOYSA-N
XLogP3.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739621
4-cyclopropyl-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739717
4-cyclopropyl-2-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739566
2-(4-chlorophenyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739651
4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739705
4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742485
2-(3-ethoxyphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472247
4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline
CID 61382229
[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]methanethiol
CID 82437280
2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009283
2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
CID 106519885
2-(3-ethoxyphenyl)-6-ethylpyrimidin-4-amine
CID 62192979

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739716) is 4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCOc1cccc(-c2nc3c(c(C4CC4)n2)CNC3)c1.
What is the InChIKey of 4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is ICQXALQEYCLCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-21-13-5-3-4-12(8-13)17-19-15-10-18-9-14(15)16(20-17)11-6-7-11/h3-5,8,11,18H,2,6-7,9-10H2,1H3.
What are the key properties of 4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 281.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).