2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

C13H16FN5OS — CID 142289469

IUPAC2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCN(SCF)CC3)nc2[nH]1
InChIInChI=1S/C13H16FN5OS/c14-8-21-19-5-3-10(4-6-19)16-13-15-7-9-1-2-11(20)17-12(9)18-13/h1-2,7,10H,3-6,8H2,(H2,15,16,17,18,20)
InChIKeyYEJBYIFGEWCUEE-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.77
Rot. Bonds4

About 2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 142289469) has the molecular formula C13H16FN5OS and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID142289469
Molecular FormulaC13H16FN5OS
Molecular Weight309.37 g/mol
Exact Mass309.11
IUPAC Name2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCN(SCF)CC3)nc2[nH]1
InChIInChI=1S/C13H16FN5OS/c14-8-21-19-5-3-10(4-6-19)16-13-15-7-9-1-2-11(20)17-12(9)18-13/h1-2,7,10H,3-6,8H2,(H2,15,16,17,18,20)
InChIKeyYEJBYIFGEWCUEE-UHFFFAOYSA-N
XLogP1.77
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluorocyclohexan-1-ol;2-[(1-methylsulfanylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 142289513
2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 134257312
2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 134257214
2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 142289495
cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 142289462
2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 126668694
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 23541154
N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine
CID 170740161
2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333276
2-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one
CID 175776312
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
[4-amino-2-[[1-(4-chlorobutylsulfanyl)piperidin-4-yl]amino]pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 142928826

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one (CID 142289469) is 2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NC3CCN(SCF)CC3)nc2[nH]1.
What is the InChIKey of 2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YEJBYIFGEWCUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5OS/c14-8-21-19-5-3-10(4-6-19)16-13-15-7-9-1-2-11(20)17-12(9)18-13/h1-2,7,10H,3-6,8H2,(H2,15,16,17,18,20).
What are the key properties of 2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 309.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 142289469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).