[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

C17H20N4O4 — CID 109300640

IUPAC[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Nc2nccc(C(=O)N3CCOCC3)n2)cc1OC
InChIInChI=1S/C17H20N4O4/c1-23-14-4-3-12(11-15(14)24-2)19-17-18-6-5-13(20-17)16(22)21-7-9-25-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyUBKQCZORZXGAGG-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.71
Rot. Bonds5

About [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109300640) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109300640
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Nc2nccc(C(=O)N3CCOCC3)n2)cc1OC
InChIInChI=1S/C17H20N4O4/c1-23-14-4-3-12(11-15(14)24-2)19-17-18-6-5-13(20-17)16(22)21-7-9-25-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyUBKQCZORZXGAGG-UHFFFAOYSA-N
XLogP1.71
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-bromo-4-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300629
1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109300644
morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109300656
morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109206544
3,4-dihydro-2H-quinolin-1-yl-[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109314648
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300535
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312606
[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321853
[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300546
[2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109299603
2-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315347
2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318092

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109300640) is [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is COc1ccc(Nc2nccc(C(=O)N3CCOCC3)n2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is UBKQCZORZXGAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-23-14-4-3-12(11-15(14)24-2)19-17-18-6-5-13(20-17)16(22)21-7-9-25-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,18,19,20).
What are the key properties of [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 344.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109300640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).