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

C14H21N3O2 — CID 102929704

IUPAC4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOCCOCCc1nc2c(c(C3CC3)n1)CNC2
InChIInChI=1S/C14H21N3O2/c1-18-6-7-19-5-4-13-16-12-9-15-8-11(12)14(17-13)10-2-3-10/h10,15H,2-9H2,1H3
InChIKeyGMLLEPGKNMHYHP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.16
Rot. Bonds7

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

4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 102929704) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID102929704
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOCCOCCc1nc2c(c(C3CC3)n1)CNC2
InChIInChI=1S/C14H21N3O2/c1-18-6-7-19-5-4-13-16-12-9-15-8-11(12)14(17-13)10-2-3-10/h10,15H,2-9H2,1H3
InChIKeyGMLLEPGKNMHYHP-UHFFFAOYSA-N
XLogP1.16
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102929710
2-(3-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740001
4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
CID 171808723
5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine
CID 102928957
4-cyclopropyl-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739717
4-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739712
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739677
4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739792
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
CID 102927204
4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739764
2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739789
4-cyclopropyl-2-(4-propan-2-ylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739633

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 102929704) is 4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COCCOCCc1nc2c(c(C3CC3)n1)CNC2.
What is the InChIKey of 4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is GMLLEPGKNMHYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-18-6-7-19-5-4-13-16-12-9-15-8-11(12)14(17-13)10-2-3-10/h10,15H,2-9H2,1H3.
What are the key properties of 4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 263.34 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 102929704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).