4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine

C17H27N5O — CID 110211318

IUPAC4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN2CCCC2CN1Cc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H27N5O/c1-14-11-21-4-2-3-16(21)13-22(14)12-15-9-18-17(19-10-15)20-5-7-23-8-6-20/h9-10,14,16H,2-8,11-13H2,1H3/t14-,16?/m1/s1
InChIKeyMRCWZGHVMOHAFZ-IURRXHLWSA-N
MW317.44 g/mol
LogP0.98
Rot. Bonds3

About 4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine

4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine (PubChem CID 110211318) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine
PubChem CID110211318
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN2CCCC2CN1Cc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H27N5O/c1-14-11-21-4-2-3-16(21)13-22(14)12-15-9-18-17(19-10-15)20-5-7-23-8-6-20/h9-10,14,16H,2-8,11-13H2,1H3/t14-,16?/m1/s1
InChIKeyMRCWZGHVMOHAFZ-IURRXHLWSA-N
XLogP0.98
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine (CID 110211318) is 4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine is C[C@@H]1CN2CCCC2CN1Cc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine?
The InChIKey is MRCWZGHVMOHAFZ-IURRXHLWSA-N. The full InChI is InChI=1S/C17H27N5O/c1-14-11-21-4-2-3-16(21)13-22(14)12-15-9-18-17(19-10-15)20-5-7-23-8-6-20/h9-10,14,16H,2-8,11-13H2,1H3/t14-,16?/m1/s1.
What are the key properties of 4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine?
4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine has a molecular weight of 317.44 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 110211318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).