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

C16H28N6 — CID 126662892

IUPAC6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
SMILESCN1C[C@@H]2CN(c3nc(N)nc(N)c3CC(C)(C)C)C[C@@H]2C1
InChIInChI=1S/C16H28N6/c1-16(2,3)5-12-13(17)19-15(18)20-14(12)22-8-10-6-21(4)7-11(10)9-22/h10-11H,5-9H2,1-4H3,(H4,17,18,19,20)/t10-,11+
InChIKeyWVODAFKJSRSKDZ-PHIMTYICSA-N
MW304.44 g/mol
LogP1.23
Rot. Bonds2

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

6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine (PubChem CID 126662892) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
PubChem CID126662892
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
SMILESCN1C[C@@H]2CN(c3nc(N)nc(N)c3CC(C)(C)C)C[C@@H]2C1
InChIInChI=1S/C16H28N6/c1-16(2,3)5-12-13(17)19-15(18)20-14(12)22-8-10-6-21(4)7-11(10)9-22/h10-11H,5-9H2,1-4H3,(H4,17,18,19,20)/t10-,11+
InChIKeyWVODAFKJSRSKDZ-PHIMTYICSA-N
XLogP1.23
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
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-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
CID 66741052
6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine
CID 67157420
5-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine
CID 67156514
5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine
CID 67157158
5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 67156312
8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 67950680
6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine
CID 66741126
5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 67157443
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4-N-(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 91427725
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine
CID 59631605
4-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-8,8-difluoro-7,9-dihydro-6H-[1]benzothiolo[3,2-d]pyrimidin-2-amine
CID 66562894
5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;dihydrate
CID 129073743

Frequently Asked Questions

What is the IUPAC name of 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine (CID 126662892) is 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine is CN1C[C@@H]2CN(c3nc(N)nc(N)c3CC(C)(C)C)C[C@@H]2C1.
What is the InChIKey of 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine?
The InChIKey is WVODAFKJSRSKDZ-PHIMTYICSA-N. The full InChI is InChI=1S/C16H28N6/c1-16(2,3)5-12-13(17)19-15(18)20-14(12)22-8-10-6-21(4)7-11(10)9-22/h10-11H,5-9H2,1-4H3,(H4,17,18,19,20)/t10-,11+.
What are the key properties of 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine?
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine has a molecular weight of 304.44 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 126662892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).