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

C15H23N5 — CID 59777258

IUPAC4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2C[C@H]3CCN[C@H]3C2)n1
InChIInChI=1S/C15H23N5/c16-15-18-12(10-3-1-2-4-10)7-14(19-15)20-8-11-5-6-17-13(11)9-20/h7,10-11,13,17H,1-6,8-9H2,(H2,16,18,19)/t11-,13+/m1/s1
InChIKeyWWLWSAHRMZWXPB-YPMHNXCESA-N
MW273.38 g/mol
LogP1.51
Rot. Bonds2

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

4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine (PubChem CID 59777258) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
PubChem CID59777258
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2C[C@H]3CCN[C@H]3C2)n1
InChIInChI=1S/C15H23N5/c16-15-18-12(10-3-1-2-4-10)7-14(19-15)20-8-11-5-6-17-13(11)9-20/h7,10-11,13,17H,1-6,8-9H2,(H2,16,18,19)/t11-,13+/m1/s1
InChIKeyWWLWSAHRMZWXPB-YPMHNXCESA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine (CID 59777258) is 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine is Nc1nc(C2CCCC2)cc(N2C[C@H]3CCN[C@H]3C2)n1.
What is the InChIKey of 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine?
The InChIKey is WWLWSAHRMZWXPB-YPMHNXCESA-N. The full InChI is InChI=1S/C15H23N5/c16-15-18-12(10-3-1-2-4-10)7-14(19-15)20-8-11-5-6-17-13(11)9-20/h7,10-11,13,17H,1-6,8-9H2,(H2,16,18,19)/t11-,13+/m1/s1.
What are the key properties of 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine?
4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 59777258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).