N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide

C16H20N4OS — CID 26398298

IUPACN-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N[C@@H](C)c1cnc(-c2ccncc2)nc1C
InChIInChI=1S/C16H20N4OS/c1-11(19-15(21)6-9-22-3)14-10-18-16(20-12(14)2)13-4-7-17-8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyIFWFYZMNNPGQEQ-NSHDSACASA-N
MW316.43 g/mol
LogP2.78
Rot. Bonds6

About N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide

N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide (PubChem CID 26398298) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide
PubChem CID26398298
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N[C@@H](C)c1cnc(-c2ccncc2)nc1C
InChIInChI=1S/C16H20N4OS/c1-11(19-15(21)6-9-22-3)14-10-18-16(20-12(14)2)13-4-7-17-8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyIFWFYZMNNPGQEQ-NSHDSACASA-N
XLogP2.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate
CID 42195430
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 26322382
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 45229538
2-(2-hydroxyphenoxy)-N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]acetamide
CID 97117814
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 97123551
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 97146517
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 97146516
1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide
CID 72933838
5-cyclopropyl-N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42453677
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771736
4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine
CID 130210346
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 97144929

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide (CID 26398298) is N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide is CSCCC(=O)N[C@@H](C)c1cnc(-c2ccncc2)nc1C.
What is the InChIKey of N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide?
The InChIKey is IFWFYZMNNPGQEQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11(19-15(21)6-9-22-3)14-10-18-16(20-12(14)2)13-4-7-17-8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide?
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide has a molecular weight of 316.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 26398298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).