4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine

C15H17N3O — CID 141050665

IUPAC4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine
SMILESCOc1ccc(C2C(C)CN=C3C=NC=CN32)cc1
InChIInChI=1S/C15H17N3O/c1-11-9-17-14-10-16-7-8-18(14)15(11)12-3-5-13(19-2)6-4-12/h3-8,10-11,15H,9H2,1-2H3
InChIKeyGPBMZKAEZRFXCL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.64
Rot. Bonds2

About 4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine

4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine (PubChem CID 141050665) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine
PubChem CID141050665
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine
SMILESCOc1ccc(C2C(C)CN=C3C=NC=CN32)cc1
InChIInChI=1S/C15H17N3O/c1-11-9-17-14-10-16-7-8-18(14)15(11)12-3-5-13(19-2)6-4-12/h3-8,10-11,15H,9H2,1-2H3
InChIKeyGPBMZKAEZRFXCL-UHFFFAOYSA-N
XLogP2.64
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine (CID 141050665) is 4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine is COc1ccc(C2C(C)CN=C3C=NC=CN32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine?
The InChIKey is GPBMZKAEZRFXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-9-17-14-10-16-7-8-18(14)15(11)12-3-5-13(19-2)6-4-12/h3-8,10-11,15H,9H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine?
4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine is sourced from PubChem (CID 141050665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).