5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide

C19H19N3O2S — CID 165116246

IUPAC5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide
SMILESCc1cnc(S(C)=O)nc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C19H19N3O2S/c1-12-11-20-19(25(3)24)22-17(12)18(23)21-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-11,13H,1-3H3,(H,21,23)/t13-,25?/m1/s1
InChIKeyOZQJSVDZSRLMPL-POIHQHRPSA-N
MW353.45 g/mol
LogP3.17
Rot. Bonds4

About 5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide

5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide (PubChem CID 165116246) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide
PubChem CID165116246
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide
SMILESCc1cnc(S(C)=O)nc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C19H19N3O2S/c1-12-11-20-19(25(3)24)22-17(12)18(23)21-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-11,13H,1-3H3,(H,21,23)/t13-,25?/m1/s1
InChIKeyOZQJSVDZSRLMPL-POIHQHRPSA-N
XLogP3.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732639
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 27753913
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 44589734
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide
CID 165116197
4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 9439131
3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231476

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide (CID 165116246) is 5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide is Cc1cnc(S(C)=O)nc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide?
The InChIKey is OZQJSVDZSRLMPL-POIHQHRPSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-11-20-19(25(3)24)22-17(12)18(23)21-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-11,13H,1-3H3,(H,21,23)/t13-,25?/m1/s1.
What are the key properties of 5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide?
5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 165116246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).