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

C14H19N3O — CID 114739677

IUPAC4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOC(c1nc2c(c(C3CC3)n1)CNC2)C1CC1
InChIInChI=1S/C14H19N3O/c1-18-13(9-4-5-9)14-16-11-7-15-6-10(11)12(17-14)8-2-3-8/h8-9,13,15H,2-7H2,1H3
InChIKeyMWBJCTXISFEBIZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.05
Rot. Bonds4

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

4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739677) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739677
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOC(c1nc2c(c(C3CC3)n1)CNC2)C1CC1
InChIInChI=1S/C14H19N3O/c1-18-13(9-4-5-9)14-16-11-7-15-6-10(11)12(17-14)8-2-3-8/h8-9,13,15H,2-7H2,1H3
InChIKeyMWBJCTXISFEBIZ-UHFFFAOYSA-N
XLogP2.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739677) is 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COC(c1nc2c(c(C3CC3)n1)CNC2)C1CC1.
What is the InChIKey of 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is MWBJCTXISFEBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-13(9-4-5-9)14-16-11-7-15-6-10(11)12(17-14)8-2-3-8/h8-9,13,15H,2-7H2,1H3.
What are the key properties of 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 245.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).