N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide

C14H21FN4OS — CID 165431976

IUPACN-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCSc1nc(C)cc(N2CCC(F)(CNC(C)=O)CC2)n1
InChIInChI=1S/C14H21FN4OS/c1-10-8-12(18-13(17-10)21-3)19-6-4-14(15,5-7-19)9-16-11(2)20/h8H,4-7,9H2,1-3H3,(H,16,20)
InChIKeyIZNLGZGZWYSISB-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.95
Rot. Bonds4

About N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide

N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 165431976) has the molecular formula C14H21FN4OS and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID165431976
Molecular FormulaC14H21FN4OS
Molecular Weight312.41 g/mol
Exact Mass312.14
IUPAC NameN-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCSc1nc(C)cc(N2CCC(F)(CNC(C)=O)CC2)n1
InChIInChI=1S/C14H21FN4OS/c1-10-8-12(18-13(17-10)21-3)19-6-4-14(15,5-7-19)9-16-11(2)20/h8H,4-7,9H2,1-3H3,(H,16,20)
InChIKeyIZNLGZGZWYSISB-UHFFFAOYSA-N
XLogP1.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 4430216
5-Fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
CID 719067
N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2496710
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
1-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
CID 752301
Acetic acid, ((6-methyl-4-piperidino-2-pyrimidinyl)thio)-, hydrazide
CID 3060284
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide
CID 45352217
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclobutanecarboxamide
CID 91892424
1-(4-(4-(Ethylamino)-6-methylpyrimidin-2-yl)piperazin-1-yl)butan-1-one
CID 18566444
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 45808709
6-ethyl-N~4~-[(1-isobutyrylpiperidin-4-yl)methyl]-N~2~,N~2~-dimethylpyrimidine-2,4-diamine
CID 50949225
N-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl}-2-ethylbutanamide
CID 72718149

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 165431976) is N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is CSc1nc(C)cc(N2CCC(F)(CNC(C)=O)CC2)n1.
What is the InChIKey of N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is IZNLGZGZWYSISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4OS/c1-10-8-12(18-13(17-10)21-3)19-6-4-14(15,5-7-19)9-16-11(2)20/h8H,4-7,9H2,1-3H3,(H,16,20).
What are the key properties of N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 312.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 165431976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).