3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide

C19H24N4O4 — CID 91966844

IUPAC3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-13-10-18(23-6-8-27-9-7-23)22-17(21-13)12-20-19(24)14-4-5-15(25-2)16(11-14)26-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,20,24)
InChIKeyNLYDVRFYWCUBFC-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.57
Rot. Bonds6

About 3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide

3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 91966844) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID91966844
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-13-10-18(23-6-8-27-9-7-23)22-17(21-13)12-20-19(24)14-4-5-15(25-2)16(11-14)26-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,20,24)
InChIKeyNLYDVRFYWCUBFC-UHFFFAOYSA-N
XLogP1.57
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253694
3-fluoro-4-methoxy-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122317873
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide
CID 122319112
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966839
6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122319156
3,4-dimethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 44826867
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazine-2-carboxamide
CID 72718138
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (CID 91966844) is 3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is COc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is NLYDVRFYWCUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13-10-18(23-6-8-27-9-7-23)22-17(21-13)12-20-19(24)14-4-5-15(25-2)16(11-14)26-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,20,24).
What are the key properties of 3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 91966844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).