4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine

C15H23N5O — CID 66741667

IUPAC4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2C[C@@H]3NCCO[C@@H]3C2)n1
InChIInChI=1S/C15H23N5O/c16-15-18-11(10-3-1-2-4-10)7-14(19-15)20-8-12-13(9-20)21-6-5-17-12/h7,10,12-13,17H,1-6,8-9H2,(H2,16,18,19)/t12-,13+/m0/s1
InChIKeyMAKOJAOOBNXDOF-QWHCGFSZSA-N
MW289.38 g/mol
LogP0.89
Rot. Bonds2

About 4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine

4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine (PubChem CID 66741667) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine
PubChem CID66741667
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2C[C@@H]3NCCO[C@@H]3C2)n1
InChIInChI=1S/C15H23N5O/c16-15-18-11(10-3-1-2-4-10)7-14(19-15)20-8-12-13(9-20)21-6-5-17-12/h7,10,12-13,17H,1-6,8-9H2,(H2,16,18,19)/t12-,13+/m0/s1
InChIKeyMAKOJAOOBNXDOF-QWHCGFSZSA-N
XLogP0.89
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine (CID 66741667) is 4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine is Nc1nc(C2CCCC2)cc(N2C[C@@H]3NCCO[C@@H]3C2)n1.
What is the InChIKey of 4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine?
The InChIKey is MAKOJAOOBNXDOF-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N5O/c16-15-18-11(10-3-1-2-4-10)7-14(19-15)20-8-12-13(9-20)21-6-5-17-12/h7,10,12-13,17H,1-6,8-9H2,(H2,16,18,19)/t12-,13+/m0/s1.
What are the key properties of 4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine?
4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine has a molecular weight of 289.38 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 66741667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).