N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide

C15H18ClN3O2S — CID 135931983

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C15H18ClN3O2S/c1-4-19(8-11-5-6-13(16)22-11)14(20)7-12-9(2)17-10(3)18-15(12)21/h5-6H,4,7-8H2,1-3H3,(H,17,18,21)
InChIKeyMJQSWKXMWDURQR-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.69
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide (PubChem CID 135931983) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide
PubChem CID135931983
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C15H18ClN3O2S/c1-4-19(8-11-5-6-13(16)22-11)14(20)7-12-9(2)17-10(3)18-15(12)21/h5-6H,4,7-8H2,1-3H3,(H,17,18,21)
InChIKeyMJQSWKXMWDURQR-UHFFFAOYSA-N
XLogP2.69
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9290072
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
CID 82852185
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide
CID 62838497
N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
CID 8576710
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide
CID 135891201
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452737

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide (CID 135931983) is N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide is CCN(Cc1ccc(Cl)s1)C(=O)Cc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide?
The InChIKey is MJQSWKXMWDURQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-4-19(8-11-5-6-13(16)22-11)14(20)7-12-9(2)17-10(3)18-15(12)21/h5-6H,4,7-8H2,1-3H3,(H,17,18,21).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide has a molecular weight of 339.85 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide is sourced from PubChem (CID 135931983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).