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

C16H24N4O — CID 125192019

IUPAC(7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cnc(N2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)nc1
InChIInChI=1S/C16H24N4O/c1-12-7-17-16(18-8-12)20-5-4-19-10-15(6-14(19)9-20)21-11-13-2-3-13/h7-8,13-15H,2-6,9-11H2,1H3/t14-,15-/m1/s1
InChIKeyCVACXILMKJJZLE-HUUCEWRRSA-N
MW288.39 g/mol
LogP1.47
Rot. Bonds4

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

(7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 125192019) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID125192019
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cnc(N2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)nc1
InChIInChI=1S/C16H24N4O/c1-12-7-17-16(18-8-12)20-5-4-19-10-15(6-14(19)9-20)21-11-13-2-3-13/h7-8,13-15H,2-6,9-11H2,1H3/t14-,15-/m1/s1
InChIKeyCVACXILMKJJZLE-HUUCEWRRSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 125192019) is (7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Cc1cnc(N2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)nc1.
What is the InChIKey of (7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is CVACXILMKJJZLE-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-7-17-16(18-8-12)20-5-4-19-10-15(6-14(19)9-20)21-11-13-2-3-13/h7-8,13-15H,2-6,9-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of (7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 288.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aR)-7-(cyclopropylmethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 125192019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).