[4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone

C22H21N3O3 — CID 12016743

IUPAC[4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone
SMILESCOc1cc(C2C(C)C(C(=O)c3ccccc3)N=C3C=NC=CN32)ccc1O
InChIInChI=1S/C22H21N3O3/c1-14-20(22(27)15-6-4-3-5-7-15)24-19-13-23-10-11-25(19)21(14)16-8-9-17(26)18(12-16)28-2/h3-14,20-21,26H,1-2H3
InChIKeyKCZDVUCDBXGKKM-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.60
Rot. Bonds4

About [4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone

[4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone (PubChem CID 12016743) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is [4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone
PubChem CID12016743
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name[4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone
SMILESCOc1cc(C2C(C)C(C(=O)c3ccccc3)N=C3C=NC=CN32)ccc1O
InChIInChI=1S/C22H21N3O3/c1-14-20(22(27)15-6-4-3-5-7-15)24-19-13-23-10-11-25(19)21(14)16-8-9-17(26)18(12-16)28-2/h3-14,20-21,26H,1-2H3
InChIKeyKCZDVUCDBXGKKM-UHFFFAOYSA-N
XLogP3.60
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone 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 [4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone?
The IUPAC name of [4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone (CID 12016743) is [4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone?
The canonical SMILES for [4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone is COc1cc(C2C(C)C(C(=O)c3ccccc3)N=C3C=NC=CN32)ccc1O.
What is the InChIKey of [4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone?
The InChIKey is KCZDVUCDBXGKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-20(22(27)15-6-4-3-5-7-15)24-19-13-23-10-11-25(19)21(14)16-8-9-17(26)18(12-16)28-2/h3-14,20-21,26H,1-2H3.
What are the key properties of [4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone?
[4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone has a molecular weight of 375.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxy-3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]-phenylmethanone is sourced from PubChem (CID 12016743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).