N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide

C19H22N4O3S — CID 136617005

IUPACN-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nc(CC(=O)NC3CC3)cc(=O)[nH]2)cc1
InChIInChI=1S/C19H22N4O3S/c1-2-12-3-5-13(6-4-12)21-18(26)11-27-19-22-15(10-17(25)23-19)9-16(24)20-14-7-8-14/h3-6,10,14H,2,7-9,11H2,1H3,(H,20,24)(H,21,26)(H,22,23,25)
InChIKeyXNLAIJMBCKMPPW-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.88
Rot. Bonds8

About N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide

N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide (PubChem CID 136617005) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide
PubChem CID136617005
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nc(CC(=O)NC3CC3)cc(=O)[nH]2)cc1
InChIInChI=1S/C19H22N4O3S/c1-2-12-3-5-13(6-4-12)21-18(26)11-27-19-22-15(10-17(25)23-19)9-16(24)20-14-7-8-14/h3-6,10,14H,2,7-9,11H2,1H3,(H,20,24)(H,21,26)(H,22,23,25)
InChIKeyXNLAIJMBCKMPPW-UHFFFAOYSA-N
XLogP1.88
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide
CID 136617009
N-cyclopropyl-2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136617029
N-(4-ethylphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 19644003
N-cyclopropyl-2-[2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136617002
N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide
CID 136616987
ethyl 4-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetyl]amino]piperidine-1-carboxylate
CID 135952668
N-(4-methylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135408881
2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-prop-2-enylacetamide
CID 136617091
N-(4-acetamidophenyl)-2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136686720
N-(4-bromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135416684
methyl 4-[[2-[[4-[2-(benzylamino)-2-oxoethyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
CID 136617125
N-benzyl-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136617151

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide (CID 136617005) is N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide is CCc1ccc(NC(=O)CSc2nc(CC(=O)NC3CC3)cc(=O)[nH]2)cc1.
What is the InChIKey of N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide?
The InChIKey is XNLAIJMBCKMPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-2-12-3-5-13(6-4-12)21-18(26)11-27-19-22-15(10-17(25)23-19)9-16(24)20-14-7-8-14/h3-6,10,14H,2,7-9,11H2,1H3,(H,20,24)(H,21,26)(H,22,23,25).
What are the key properties of N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide?
N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide is sourced from PubChem (CID 136617005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).