4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine

C15H23N5O — CID 70757799

IUPAC4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine
SMILESc1nc(N2CCOCC2)ncc1CN1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C15H23N5O/c1-2-20(14-10-16-9-13(1)14)11-12-7-17-15(18-8-12)19-3-5-21-6-4-19/h7-8,13-14,16H,1-6,9-11H2/t13-,14+/m0/s1
InChIKeyNWRSYZLPIKOJCX-UONOGXRCSA-N
MW289.38 g/mol
LogP0.11
Rot. Bonds3

About 4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine

4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine (PubChem CID 70757799) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine
PubChem CID70757799
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine
SMILESc1nc(N2CCOCC2)ncc1CN1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C15H23N5O/c1-2-20(14-10-16-9-13(1)14)11-12-7-17-15(18-8-12)19-3-5-21-6-4-19/h7-8,13-14,16H,1-6,9-11H2/t13-,14+/m0/s1
InChIKeyNWRSYZLPIKOJCX-UONOGXRCSA-N
XLogP0.11
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine (CID 70757799) is 4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine is c1nc(N2CCOCC2)ncc1CN1CC[C@H]2CNC[C@H]21.
What is the InChIKey of 4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine?
The InChIKey is NWRSYZLPIKOJCX-UONOGXRCSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-20(14-10-16-9-13(1)14)11-12-7-17-15(18-8-12)19-3-5-21-6-4-19/h7-8,13-14,16H,1-6,9-11H2/t13-,14+/m0/s1.
What are the key properties of 4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine?
4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine has a molecular weight of 289.38 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 70757799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).