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

C15H21N3O — CID 114739764

IUPAC4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCOC(c1nc2c(c(C3CC3)n1)CNC2)C1CC1
InChIInChI=1S/C15H21N3O/c1-2-19-14(10-5-6-10)15-17-12-8-16-7-11(12)13(18-15)9-3-4-9/h9-10,14,16H,2-8H2,1H3
InChIKeyUXIWEAWFTQYLKY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds5

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

4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739764) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739764
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCOC(c1nc2c(c(C3CC3)n1)CNC2)C1CC1
InChIInChI=1S/C15H21N3O/c1-2-19-14(10-5-6-10)15-17-12-8-16-7-11(12)13(18-15)9-3-4-9/h9-10,14,16H,2-8H2,1H3
InChIKeyUXIWEAWFTQYLKY-UHFFFAOYSA-N
XLogP2.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739677
2-[cyclopropyl(ethoxy)methyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741382
4-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739712
4-cyclopropyl-2-(4-propan-2-ylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739633
2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728665
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706711
4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739773
[2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116730274
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116728703
2-(1-ethoxyethyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740935
4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739716
4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
CID 171808723

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739764) is 4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCOC(c1nc2c(c(C3CC3)n1)CNC2)C1CC1.
What is the InChIKey of 4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is UXIWEAWFTQYLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-19-14(10-5-6-10)15-17-12-8-16-7-11(12)13(18-15)9-3-4-9/h9-10,14,16H,2-8H2,1H3.
What are the key properties of 4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 259.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).