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

C14H22N6 — CID 67156514

IUPAC5-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine
SMILESCN1CC2CN(c3nc(N)nc(N)c3C3CC3)CC2C1
InChIInChI=1S/C14H22N6/c1-19-4-9-6-20(7-10(9)5-19)13-11(8-2-3-8)12(15)17-14(16)18-13/h8-10H,2-7H2,1H3,(H4,15,16,17,18)
InChIKeyXTRKCIKGAMFAOO-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.52
Rot. Bonds2

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

5-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine (PubChem CID 67156514) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine
PubChem CID67156514
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name5-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine
SMILESCN1CC2CN(c3nc(N)nc(N)c3C3CC3)CC2C1
InChIInChI=1S/C14H22N6/c1-19-4-9-6-20(7-10(9)5-19)13-11(8-2-3-8)12(15)17-14(16)18-13/h8-10H,2-7H2,1H3,(H4,15,16,17,18)
InChIKeyXTRKCIKGAMFAOO-UHFFFAOYSA-N
XLogP0.52
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine (CID 67156514) is 5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine is CN1CC2CN(c3nc(N)nc(N)c3C3CC3)CC2C1.
What is the InChIKey of 5-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is XTRKCIKGAMFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-19-4-9-6-20(7-10(9)5-19)13-11(8-2-3-8)12(15)17-14(16)18-13/h8-10H,2-7H2,1H3,(H4,15,16,17,18).
What are the key properties of 5-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine?
5-cyclopropyl-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 274.37 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-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 67156514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).