2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide

C12H14N6OS — CID 71669882

IUPAC2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)C(C)Sc1ncnc(N)n1
InChIInChI=1S/C12H14N6OS/c1-7-4-3-5-14-9(7)17-10(19)8(2)20-12-16-6-15-11(13)18-12/h3-6,8H,1-2H3,(H,14,17,19)(H2,13,15,16,18)
InChIKeyHHYMVALOFZHVQI-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.28
Rot. Bonds4

About 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide

2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 71669882) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide
PubChem CID71669882
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)C(C)Sc1ncnc(N)n1
InChIInChI=1S/C12H14N6OS/c1-7-4-3-5-14-9(7)17-10(19)8(2)20-12-16-6-15-11(13)18-12/h3-6,8H,1-2H3,(H,14,17,19)(H2,13,15,16,18)
InChIKeyHHYMVALOFZHVQI-UHFFFAOYSA-N
XLogP1.28
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide
CID 39951954
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
3-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]propanoylamino]benzoic acid
CID 23886103
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 8985929
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 23997876
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide
CID 23858334
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 61148284
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 865761
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3398462

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide?
The IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide (CID 71669882) is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide is Cc1cccnc1NC(=O)C(C)Sc1ncnc(N)n1.
What is the InChIKey of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide?
The InChIKey is HHYMVALOFZHVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-7-4-3-5-14-9(7)17-10(19)8(2)20-12-16-6-15-11(13)18-12/h3-6,8H,1-2H3,(H,14,17,19)(H2,13,15,16,18).
What are the key properties of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide?
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 290.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 71669882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).