N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide

C13H20N4O2S — CID 107600136

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCOc1cc(C)nc(NC(=O)CSC2CCNCC2)n1
InChIInChI=1S/C13H20N4O2S/c1-9-7-12(19-2)17-13(15-9)16-11(18)8-20-10-3-5-14-6-4-10/h7,10,14H,3-6,8H2,1-2H3,(H,15,16,17,18)
InChIKeyBXNRCBJZZLGPJG-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.22
Rot. Bonds5

About N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide

N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 107600136) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID107600136
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCOc1cc(C)nc(NC(=O)CSC2CCNCC2)n1
InChIInChI=1S/C13H20N4O2S/c1-9-7-12(19-2)17-13(15-9)16-11(18)8-20-10-3-5-14-6-4-10/h7,10,14H,3-6,8H2,1-2H3,(H,15,16,17,18)
InChIKeyBXNRCBJZZLGPJG-UHFFFAOYSA-N
XLogP1.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 107625783
N-(4,6-dimethylpyrimidin-2-yl)-2-piperidin-4-yloxyacetamide
CID 55250898
N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride
CID 17221317
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 107600138
N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114052324
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 112634766
N-(5-bromo-6-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627759
1-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 107602542
N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627796
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide
CID 107600194
2-[1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 107602147

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide (CID 107600136) is N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide is COc1cc(C)nc(NC(=O)CSC2CCNCC2)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is BXNRCBJZZLGPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9-7-12(19-2)17-13(15-9)16-11(18)8-20-10-3-5-14-6-4-10/h7,10,14H,3-6,8H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 296.40 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 107600136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).