N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide

C19H23N3O2S — CID 17397593

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CCOc3ccccc32)c(C)n1
InChIInChI=1S/C19H23N3O2S/c1-12-14(13(2)21-19(20-12)25-3)8-9-18(23)22-16-10-11-24-17-7-5-4-6-15(16)17/h4-7,16H,8-11H2,1-3H3,(H,22,23)
InChIKeyMGROTTMWEYZAQA-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.39
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide (PubChem CID 17397593) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
PubChem CID17397593
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CCOc3ccccc32)c(C)n1
InChIInChI=1S/C19H23N3O2S/c1-12-14(13(2)21-19(20-12)25-3)8-9-18(23)22-16-10-11-24-17-7-5-4-6-15(16)17/h4-7,16H,8-11H2,1-3H3,(H,22,23)
InChIKeyMGROTTMWEYZAQA-UHFFFAOYSA-N
XLogP3.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135665164
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3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
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2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
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N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 18096155
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide (CID 17397593) is N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide is CSc1nc(C)c(CCC(=O)NC2CCOc3ccccc32)c(C)n1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The InChIKey is MGROTTMWEYZAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12-14(13(2)21-19(20-12)25-3)8-9-18(23)22-16-10-11-24-17-7-5-4-6-15(16)17/h4-7,16H,8-11H2,1-3H3,(H,22,23).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide has a molecular weight of 357.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 17397593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).