1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine

C10H20N2 — CID 69046896

IUPAC1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine
SMILESCN1CCC2CCCN2C1(C)C
InChIInChI=1S/C10H20N2/c1-10(2)11(3)8-6-9-5-4-7-12(9)10/h9H,4-8H2,1-3H3
InChIKeySGOMIFOVRLYODE-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.52
Rot. Bonds

About 1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine

1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine (PubChem CID 69046896) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine
PubChem CID69046896
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine
SMILESCN1CCC2CCCN2C1(C)C
InChIInChI=1S/C10H20N2/c1-10(2)11(3)8-6-9-5-4-7-12(9)10/h9H,4-8H2,1-3H3
InChIKeySGOMIFOVRLYODE-UHFFFAOYSA-N
XLogP1.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine?
The IUPAC name of 1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine (CID 69046896) is 1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for 1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine?
The canonical SMILES for 1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine is CN1CCC2CCCN2C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine?
The InChIKey is SGOMIFOVRLYODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2)11(3)8-6-9-5-4-7-12(9)10/h9H,4-8H2,1-3H3.
What are the key properties of 1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine?
1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine has a molecular weight of 168.28 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 69046896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).