4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine

C15H23N5 — CID 90655029

IUPAC4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2C[C@H]3CNC[C@H]3C2)n1
InChIInChI=1S/C15H23N5/c16-15-18-13(10-3-1-2-4-10)5-14(19-15)20-8-11-6-17-7-12(11)9-20/h5,10-12,17H,1-4,6-9H2,(H2,16,18,19)/t11-,12+
InChIKeyKFFPHZHAEKBUBL-TXEJJXNPSA-N
MW273.38 g/mol
LogP1.37
Rot. Bonds2

About 4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine

4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine (PubChem CID 90655029) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
PubChem CID90655029
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2C[C@H]3CNC[C@H]3C2)n1
InChIInChI=1S/C15H23N5/c16-15-18-13(10-3-1-2-4-10)5-14(19-15)20-8-11-6-17-7-12(11)9-20/h5,10-12,17H,1-4,6-9H2,(H2,16,18,19)/t11-,12+
InChIKeyKFFPHZHAEKBUBL-TXEJJXNPSA-N
XLogP1.37
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine (CID 90655029) is 4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine is Nc1nc(C2CCCC2)cc(N2C[C@H]3CNC[C@H]3C2)n1.
What is the InChIKey of 4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine?
The InChIKey is KFFPHZHAEKBUBL-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H23N5/c16-15-18-13(10-3-1-2-4-10)5-14(19-15)20-8-11-6-17-7-12(11)9-20/h5,10-12,17H,1-4,6-9H2,(H2,16,18,19)/t11-,12+.
What are the key properties of 4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine?
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 90655029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).