(7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C16H20N6O — CID 134689518

IUPAC(7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1
InChIInChI=1S/C16H20N6O/c1-12-5-19-16(20-6-12)22-3-2-21-10-14(4-13(21)9-22)23-15-7-17-11-18-8-15/h5-8,11,13-14H,2-4,9-10H2,1H3/t13-,14-/m1/s1
InChIKeyVXMZJNAZXYQAOG-ZIAGYGMSSA-N
MW312.38 g/mol
LogP0.92
Rot. Bonds3

About (7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 134689518) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is (7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID134689518
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name(7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1
InChIInChI=1S/C16H20N6O/c1-12-5-19-16(20-6-12)22-3-2-21-10-14(4-13(21)9-22)23-15-7-17-11-18-8-15/h5-8,11,13-14H,2-4,9-10H2,1H3/t13-,14-/m1/s1
InChIKeyVXMZJNAZXYQAOG-ZIAGYGMSSA-N
XLogP0.92
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

(7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97386253
(7R,8aS)-2-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458388
(7R,8aS)-2-(5-fluoropyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 98777098
(7R,8aR)-2-(5-fluoropyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 125182102
(7R,8aS)-2-(5-fluoropyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 127022680
(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(5-methylpyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510721
(7R,8aS)-2-(5-fluoropyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171692442
(7R,8aS)-2-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171693124
1-(5-fluoropyrimidin-4-yl)-6-(5-methoxypyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 177670367
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
(7R,8aR)-2-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 125190087
(7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 125192019

Frequently Asked Questions

What is the IUPAC name of (7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 134689518) is (7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Cc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1.
What is the InChIKey of (7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is VXMZJNAZXYQAOG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12-5-19-16(20-6-12)22-3-2-21-10-14(4-13(21)9-22)23-15-7-17-11-18-8-15/h5-8,11,13-14H,2-4,9-10H2,1H3/t13-,14-/m1/s1.
What are the key properties of (7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 312.38 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aR)-2-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 134689518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).