(7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C15H22N4O2 — CID 97458330

IUPAC(7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC=CCO[C@@H]1C[C@H]2CN(c3cc(OC)ncn3)CCN2C1
InChIInChI=1S/C15H22N4O2/c1-3-6-21-13-7-12-9-19(5-4-18(12)10-13)14-8-15(20-2)17-11-16-14/h3,8,11-13H,1,4-7,9-10H2,2H3/t12-,13+/m0/s1
InChIKeySWUWDBSPWOXHSZ-QWHCGFSZSA-N
MW290.37 g/mol
LogP0.95
Rot. Bonds5

About (7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 97458330) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID97458330
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC=CCO[C@@H]1C[C@H]2CN(c3cc(OC)ncn3)CCN2C1
InChIInChI=1S/C15H22N4O2/c1-3-6-21-13-7-12-9-19(5-4-18(12)10-13)14-8-15(20-2)17-11-16-14/h3,8,11-13H,1,4-7,9-10H2,2H3/t12-,13+/m0/s1
InChIKeySWUWDBSPWOXHSZ-QWHCGFSZSA-N
XLogP0.95
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 97458330) is (7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C=CCO[C@@H]1C[C@H]2CN(c3cc(OC)ncn3)CCN2C1.
What is the InChIKey of (7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is SWUWDBSPWOXHSZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-6-21-13-7-12-9-19(5-4-18(12)10-13)14-8-15(20-2)17-11-16-14/h3,8,11-13H,1,4-7,9-10H2,2H3/t12-,13+/m0/s1.
What are the key properties of (7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 290.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 97458330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).