2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide

C18H19ClN4O3S — CID 135952902

IUPAC2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide
SMILESO=C(CSc1nc(CC(=O)NC2CC2)cc(=O)[nH]1)NCc1ccccc1Cl
InChIInChI=1S/C18H19ClN4O3S/c19-14-4-2-1-3-11(14)9-20-17(26)10-27-18-22-13(8-16(25)23-18)7-15(24)21-12-5-6-12/h1-4,8,12H,5-7,9-10H2,(H,20,26)(H,21,24)(H,22,23,25)
InChIKeyLCUOWGQYTGZYOK-UHFFFAOYSA-N
MW406.90 g/mol
LogP1.65
Rot. Bonds8

About 2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide

2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide (PubChem CID 135952902) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is 2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide
PubChem CID135952902
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC Name2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide
SMILESO=C(CSc1nc(CC(=O)NC2CC2)cc(=O)[nH]1)NCc1ccccc1Cl
InChIInChI=1S/C18H19ClN4O3S/c19-14-4-2-1-3-11(14)9-20-17(26)10-27-18-22-13(8-16(25)23-18)7-15(24)21-12-5-6-12/h1-4,8,12H,5-7,9-10H2,(H,20,26)(H,21,24)(H,22,23,25)
InChIKeyLCUOWGQYTGZYOK-UHFFFAOYSA-N
XLogP1.65
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide with MolForge

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Related Compounds

N-(4-chlorobenzyl)-2-[(6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 2368008
N-(2-chlorobenzyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3443362
N-(2-chlorobenzyl)-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4067113
2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 4297303
N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 2549596
N-[(2-chlorophenyl)methyl]-2-{6-methyl-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
CID 16868081
N-(4-chlorobenzyl)-2-(6-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868087
N-(2-chlorobenzyl)-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802268
N-[2-(4-chlorophenyl)ethyl]-2-{[6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CID 135631367
N-(2-chlorobenzyl)-2-(2-((4-fluorobenzyl)thio)-6-oxo-1,6-dihydropyrimidin-4-yl)acetamide
CID 135885961
2-(2-((3-chlorobenzyl)thio)-6-oxo-1,6-dihydropyrimidin-4-yl)-N-(4-fluorobenzyl)acetamide
CID 135952715
2-(2-((3-chlorobenzyl)thio)-6-oxo-1,6-dihydropyrimidin-4-yl)-N-(4-fluorophenethyl)acetamide
CID 135952732

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide (CID 135952902) is 2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide is O=C(CSc1nc(CC(=O)NC2CC2)cc(=O)[nH]1)NCc1ccccc1Cl.
What is the InChIKey of 2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide?
The InChIKey is LCUOWGQYTGZYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c19-14-4-2-1-3-11(14)9-20-17(26)10-27-18-22-13(8-16(25)23-18)7-15(24)21-12-5-6-12/h1-4,8,12H,5-7,9-10H2,(H,20,26)(H,21,24)(H,22,23,25).
What are the key properties of 2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide?
2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide has a molecular weight of 406.90 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 135952902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).