2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide

C12H12N4OS — CID 71912580

IUPAC2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide
SMILESCC(Sc1ccncc1)C(=O)Nc1ncccn1
InChIInChI=1S/C12H12N4OS/c1-9(18-10-3-7-13-8-4-10)11(17)16-12-14-5-2-6-15-12/h2-9H,1H3,(H,14,15,16,17)
InChIKeyRPUFVQDQGYOLNE-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.99
Rot. Bonds4

About 2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide

2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide (PubChem CID 71912580) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide
PubChem CID71912580
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide
SMILESCC(Sc1ccncc1)C(=O)Nc1ncccn1
InChIInChI=1S/C12H12N4OS/c1-9(18-10-3-7-13-8-4-10)11(17)16-12-14-5-2-6-15-12/h2-9H,1H3,(H,14,15,16,17)
InChIKeyRPUFVQDQGYOLNE-UHFFFAOYSA-N
XLogP1.99
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide
CID 39951954
N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide
CID 7678001
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(E)-4-oxo-4-[4-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylanilino]but-2-enoic acid
CID 22785024
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
(2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide
CID 1208584
N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 47408950
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992034
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide (CID 71912580) is 2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide is CC(Sc1ccncc1)C(=O)Nc1ncccn1.
What is the InChIKey of 2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide?
The InChIKey is RPUFVQDQGYOLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-9(18-10-3-7-13-8-4-10)11(17)16-12-14-5-2-6-15-12/h2-9H,1H3,(H,14,15,16,17).
What are the key properties of 2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide?
2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide has a molecular weight of 260.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 71912580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).