4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

C14H19N5O — CID 66208597

IUPAC4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCCC1C2CNCC2CN1c1ncnc2onc(C)c12
InChIInChI=1S/C14H19N5O/c1-3-11-10-5-15-4-9(10)6-19(11)13-12-8(2)18-20-14(12)17-7-16-13/h7,9-11,15H,3-6H2,1-2H3
InChIKeyDBGRWBSSNSQUFF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.36
Rot. Bonds2

About 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 66208597) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID66208597
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCCC1C2CNCC2CN1c1ncnc2onc(C)c12
InChIInChI=1S/C14H19N5O/c1-3-11-10-5-15-4-9(10)6-19(11)13-12-8(2)18-20-14(12)17-7-16-13/h7,9-11,15H,3-6H2,1-2H3
InChIKeyDBGRWBSSNSQUFF-UHFFFAOYSA-N
XLogP1.36
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (CID 66208597) is 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is CCC1C2CNCC2CN1c1ncnc2onc(C)c12.
What is the InChIKey of 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is DBGRWBSSNSQUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-11-10-5-15-4-9(10)6-19(11)13-12-8(2)18-20-14(12)17-7-16-13/h7,9-11,15H,3-6H2,1-2H3.
What are the key properties of 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 273.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 66208597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).