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

C15H18N6O — CID 125190087

IUPAC(7R,8aR)-2-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1
InChIInChI=1S/C15H18N6O/c1-2-18-15(19-3-1)21-5-4-20-10-13(6-12(20)9-21)22-14-7-16-11-17-8-14/h1-3,7-8,11-13H,4-6,9-10H2/t12-,13-/m1/s1
InChIKeyAOQGMTLLSJHROB-CHWSQXEVSA-N
MW298.35 g/mol
LogP0.61
Rot. Bonds3

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

(7R,8aR)-2-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 125190087) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is (7R,8aR)-2-pyrimidin-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-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID125190087
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name(7R,8aR)-2-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1
InChIInChI=1S/C15H18N6O/c1-2-18-15(19-3-1)21-5-4-20-10-13(6-12(20)9-21)22-14-7-16-11-17-8-14/h1-3,7-8,11-13H,4-6,9-10H2/t12-,13-/m1/s1
InChIKeyAOQGMTLLSJHROB-CHWSQXEVSA-N
XLogP0.61
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (7R,8aR)-2-pyrimidin-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

(4aR,7aS)-6-(oxan-4-ylmethyl)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377537
(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
(7R,8aS)-2-pyrimidin-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 127022846
2-(4-Pyrazin-2-yloxypiperidin-1-yl)pyrimidine
CID 95811454
(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
(4aS,7aS)-4-methyl-6-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 124224424
(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

Frequently Asked Questions

What is the IUPAC name of (7R,8aR)-2-pyrimidin-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-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 125190087) is (7R,8aR)-2-pyrimidin-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-pyrimidin-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-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is c1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1.
What is the InChIKey of (7R,8aR)-2-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is AOQGMTLLSJHROB-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18N6O/c1-2-18-15(19-3-1)21-5-4-20-10-13(6-12(20)9-21)22-14-7-16-11-17-8-14/h1-3,7-8,11-13H,4-6,9-10H2/t12-,13-/m1/s1.
What are the key properties of (7R,8aR)-2-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aR)-2-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 298.35 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aR)-2-pyrimidin-2-yl-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 125190087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).