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

C11H17N5 — CID 121206002

IUPAC6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine
SMILESCN1CC2CN(c3cc(N)ncn3)CC2C1
InChIInChI=1S/C11H17N5/c1-15-3-8-5-16(6-9(8)4-15)11-2-10(12)13-7-14-11/h2,7-9H,3-6H2,1H3,(H2,12,13,14)
InChIKeySQSGUNWPRZUINH-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.06
Rot. Bonds1

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

6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine (PubChem CID 121206002) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine
PubChem CID121206002
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine
SMILESCN1CC2CN(c3cc(N)ncn3)CC2C1
InChIInChI=1S/C11H17N5/c1-15-3-8-5-16(6-9(8)4-15)11-2-10(12)13-7-14-11/h2,7-9H,3-6H2,1H3,(H2,12,13,14)
InChIKeySQSGUNWPRZUINH-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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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)pyrimidin-4-amine?
The IUPAC name of 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine (CID 121206002) is 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine is CN1CC2CN(c3cc(N)ncn3)CC2C1.
What is the InChIKey of 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine?
The InChIKey is SQSGUNWPRZUINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-15-3-8-5-16(6-9(8)4-15)11-2-10(12)13-7-14-11/h2,7-9H,3-6H2,1H3,(H2,12,13,14).
What are the key properties of 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine?
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-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 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 121206002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).