4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C16H23N3O — CID 114739792

IUPAC4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOC1(c2nc3c(c(C4CC4)n2)CNC3)CCCCC1
InChIInChI=1S/C16H23N3O/c1-20-16(7-3-2-4-8-16)15-18-13-10-17-9-12(13)14(19-15)11-5-6-11/h11,17H,2-10H2,1H3
InChIKeyCURRKBQJYOZUJE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds3

About 4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739792) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739792
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOC1(c2nc3c(c(C4CC4)n2)CNC3)CCCCC1
InChIInChI=1S/C16H23N3O/c1-20-16(7-3-2-4-8-16)15-18-13-10-17-9-12(13)14(19-15)11-5-6-11/h11,17H,2-10H2,1H3
InChIKeyCURRKBQJYOZUJE-UHFFFAOYSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739792) is 4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COC1(c2nc3c(c(C4CC4)n2)CNC3)CCCCC1.
What is the InChIKey of 4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is CURRKBQJYOZUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-20-16(7-3-2-4-8-16)15-18-13-10-17-9-12(13)14(19-15)11-5-6-11/h11,17H,2-10H2,1H3.
What are the key properties of 4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 273.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).