4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine

C11H17N5 — CID 59631605

IUPAC4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine
SMILESCN1CC2CN(c3ccnc(N)n3)CC2C1
InChIInChI=1S/C11H17N5/c1-15-4-8-6-16(7-9(8)5-15)10-2-3-13-11(12)14-10/h2-3,8-9H,4-7H2,1H3,(H2,12,13,14)
InChIKeyWXJBNALGLRVKEM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.06
Rot. Bonds1

About 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine

4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine (PubChem CID 59631605) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine
PubChem CID59631605
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine
SMILESCN1CC2CN(c3ccnc(N)n3)CC2C1
InChIInChI=1S/C11H17N5/c1-15-4-8-6-16(7-9(8)5-15)10-2-3-13-11(12)14-10/h2-3,8-9H,4-7H2,1H3,(H2,12,13,14)
InChIKeyWXJBNALGLRVKEM-UHFFFAOYSA-N
XLogP0.06
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine
CID 178108093
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 80834207
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
CID 103541763
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine
CID 121206002
4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
CID 80798046
4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80827694
4-[3-(dimethylamino)piperidin-1-yl]pyrimidin-2-amine
CID 80856327
4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80845282

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine (CID 59631605) is 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine is CN1CC2CN(c3ccnc(N)n3)CC2C1.
What is the InChIKey of 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine?
The InChIKey is WXJBNALGLRVKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-15-4-8-6-16(7-9(8)5-15)10-2-3-13-11(12)14-10/h2-3,8-9H,4-7H2,1H3,(H2,12,13,14).
What are the key properties of 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine?
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine has a molecular weight of 219.29 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 59631605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).