(3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C17H27N5O2 — CID 110211461

IUPAC(3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESC[C@@H]1CN2C[C@H](O)CC2CN1Cc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C17H27N5O2/c1-13-9-22-12-16(23)8-15(22)11-21(13)10-14-2-3-18-17(19-14)20-4-6-24-7-5-20/h2-3,13,15-16,23H,4-12H2,1H3/t13-,15?,16-/m1/s1
InChIKeyKGMUQQOLRJWFMF-YAELJHOLSA-N
MW333.44 g/mol
LogP-0.05
Rot. Bonds3

About (3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 110211461) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID110211461
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESC[C@@H]1CN2C[C@H](O)CC2CN1Cc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C17H27N5O2/c1-13-9-22-12-16(23)8-15(22)11-21(13)10-14-2-3-18-17(19-14)20-4-6-24-7-5-20/h2-3,13,15-16,23H,4-12H2,1H3/t13-,15?,16-/m1/s1
InChIKeyKGMUQQOLRJWFMF-YAELJHOLSA-N
XLogP-0.05
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 110211461) is (3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is C[C@@H]1CN2C[C@H](O)CC2CN1Cc1ccnc(N2CCOCC2)n1.
What is the InChIKey of (3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is KGMUQQOLRJWFMF-YAELJHOLSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13-9-22-12-16(23)8-15(22)11-21(13)10-14-2-3-18-17(19-14)20-4-6-24-7-5-20/h2-3,13,15-16,23H,4-12H2,1H3/t13-,15?,16-/m1/s1.
What are the key properties of (3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 333.44 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-3-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 110211461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).