5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine

C13H22N6 — CID 67156464

IUPAC5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine
SMILESCCc1c(N)nc(N)nc1N1CC2CN(C)CC2C1
InChIInChI=1S/C13H22N6/c1-3-10-11(14)16-13(15)17-12(10)19-6-8-4-18(2)5-9(8)7-19/h8-9H,3-7H2,1-2H3,(H4,14,15,16,17)
InChIKeyDVIFCQCDVNDELF-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.20
Rot. Bonds2

About 5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine

5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine (PubChem CID 67156464) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine
PubChem CID67156464
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine
SMILESCCc1c(N)nc(N)nc1N1CC2CN(C)CC2C1
InChIInChI=1S/C13H22N6/c1-3-10-11(14)16-13(15)17-12(10)19-6-8-4-18(2)5-9(8)7-19/h8-9H,3-7H2,1-2H3,(H4,14,15,16,17)
InChIKeyDVIFCQCDVNDELF-UHFFFAOYSA-N
XLogP0.20
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine (CID 67156464) is 5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine is CCc1c(N)nc(N)nc1N1CC2CN(C)CC2C1.
What is the InChIKey of 5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is DVIFCQCDVNDELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-3-10-11(14)16-13(15)17-12(10)19-6-8-4-18(2)5-9(8)7-19/h8-9H,3-7H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine?
5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 262.36 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67156464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).