4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide

C19H18ClN5O3 — CID 25116919

IUPAC4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NC(C)c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C19H18ClN5O3/c1-11(23-19(27)13-5-4-12(20)8-16(13)28-3)18-24-15(9-17(26)25(18)2)14-6-7-21-10-22-14/h4-11H,1-3H3,(H,23,27)
InChIKeyVPJMIJVZIBEJCC-UHFFFAOYSA-N
MW399.84 g/mol
LogP2.39
Rot. Bonds5

About 4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide

4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide (PubChem CID 25116919) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
PubChem CID25116919
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NC(C)c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C19H18ClN5O3/c1-11(23-19(27)13-5-4-12(20)8-16(13)28-3)18-24-15(9-17(26)25(18)2)14-6-7-21-10-22-14/h4-11H,1-3H3,(H,23,27)
InChIKeyVPJMIJVZIBEJCC-UHFFFAOYSA-N
XLogP2.39
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
CID 25067569
4-fluoro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
CID 68577570
2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 68527245
2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 68532318
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68513343
5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
CID 25117136
4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107207961
6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
CID 7472546
5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716401
N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 25117147
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397
(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone
CID 63988733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide (CID 25116919) is 4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide is COc1cc(Cl)ccc1C(=O)NC(C)c1nc(-c2ccncn2)cc(=O)n1C.
What is the InChIKey of 4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
The InChIKey is VPJMIJVZIBEJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-11(23-19(27)13-5-4-12(20)8-16(13)28-3)18-24-15(9-17(26)25(18)2)14-6-7-21-10-22-14/h4-11H,1-3H3,(H,23,27).
What are the key properties of 4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide has a molecular weight of 399.84 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide is sourced from PubChem (CID 25116919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).