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

C16H28N6 — CID 67156275

IUPAC6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1c(N)nc(N)nc1N1CC2CN(C)CC2C1
InChIInChI=1S/C16H28N6/c1-10(2)4-5-13-14(17)19-16(18)20-15(13)22-8-11-6-21(3)7-12(11)9-22/h10-12H,4-9H2,1-3H3,(H4,17,18,19,20)
InChIKeyCMNHINPWEGUCBP-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.23
Rot. Bonds4

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

6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 67156275) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID67156275
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1c(N)nc(N)nc1N1CC2CN(C)CC2C1
InChIInChI=1S/C16H28N6/c1-10(2)4-5-13-14(17)19-16(18)20-15(13)22-8-11-6-21(3)7-12(11)9-22/h10-12H,4-9H2,1-3H3,(H4,17,18,19,20)
InChIKeyCMNHINPWEGUCBP-UHFFFAOYSA-N
XLogP1.23
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)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 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine (CID 67156275) is 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCc1c(N)nc(N)nc1N1CC2CN(C)CC2C1.
What is the InChIKey of 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is CMNHINPWEGUCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-10(2)4-5-13-14(17)19-16(18)20-15(13)22-8-11-6-21(3)7-12(11)9-22/h10-12H,4-9H2,1-3H3,(H4,17,18,19,20).
What are the key properties of 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine?
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 304.44 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67156275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).