[2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

C25H28N4O4 — CID 127250239

IUPAC[2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
SMILESCOc1ccc(OC)c(Cc2ccc(C3CN(C(=O)c4cnc(C)nc4C)CCO3)nc2)c1
InChIInChI=1S/C25H28N4O4/c1-16-21(14-26-17(2)28-16)25(30)29-9-10-33-24(15-29)22-7-5-18(13-27-22)11-19-12-20(31-3)6-8-23(19)32-4/h5-8,12-14,24H,9-11,15H2,1-4H3
InChIKeyWFPKKTBTSQALMS-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.31
Rot. Bonds6

About [2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

[2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone (PubChem CID 127250239) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is [2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
PubChem CID127250239
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name[2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
SMILESCOc1ccc(OC)c(Cc2ccc(C3CN(C(=O)c4cnc(C)nc4C)CCO3)nc2)c1
InChIInChI=1S/C25H28N4O4/c1-16-21(14-26-17(2)28-16)25(30)29-9-10-33-24(15-29)22-7-5-18(13-27-22)11-19-12-20(31-3)6-8-23(19)32-4/h5-8,12-14,24H,9-11,15H2,1-4H3
InChIKeyWFPKKTBTSQALMS-UHFFFAOYSA-N
XLogP3.31
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
The IUPAC name of [2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone (CID 127250239) is [2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone.
What is the SMILES notation for [2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
The canonical SMILES for [2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone is COc1ccc(OC)c(Cc2ccc(C3CN(C(=O)c4cnc(C)nc4C)CCO3)nc2)c1.
What is the InChIKey of [2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
The InChIKey is WFPKKTBTSQALMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-16-21(14-26-17(2)28-16)25(30)29-9-10-33-24(15-29)22-7-5-18(13-27-22)11-19-12-20(31-3)6-8-23(19)32-4/h5-8,12-14,24H,9-11,15H2,1-4H3.
What are the key properties of [2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
[2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone has a molecular weight of 448.52 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(2,5-dimethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 127250239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).