2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol

C16H23N3OS — CID 134272351

IUPAC2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol
SMILESCSc1ncc2c(n1)N([C@@H]1CCC[C@@H]1C)CC(CCO)=C2
InChIInChI=1S/C16H23N3OS/c1-11-4-3-5-14(11)19-10-12(6-7-20)8-13-9-17-16(21-2)18-15(13)19/h8-9,11,14,20H,3-7,10H2,1-2H3/t11-,14+/m0/s1
InChIKeyIQNLYESOKTVFSP-SMDDNHRTSA-N
MW305.45 g/mol
LogP2.97
Rot. Bonds4

About 2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol

2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol (PubChem CID 134272351) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol
PubChem CID134272351
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol
SMILESCSc1ncc2c(n1)N([C@@H]1CCC[C@@H]1C)CC(CCO)=C2
InChIInChI=1S/C16H23N3OS/c1-11-4-3-5-14(11)19-10-12(6-7-20)8-13-9-17-16(21-2)18-15(13)19/h8-9,11,14,20H,3-7,10H2,1-2H3/t11-,14+/m0/s1
InChIKeyIQNLYESOKTVFSP-SMDDNHRTSA-N
XLogP2.97
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol with MolForge

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Related Compounds

[4-(azepan-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905065
8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-7-hydroxy-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458764
3-cyclohexyl-1-methyl-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 22125161
3-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]-2-methylcyclohexan-1-ol
CID 138457357
(4aS)-4-(1-methyl-7-methylsulfanyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylic acid
CID 170156616
[4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905055
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 102684235
4-[[(2R)-2-methylcyclopentyl]methylideneamino]-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 142289496
6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
CID 172701811
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62467198
8-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 166602954
4-(4-cyclopentylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 171335261

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol?
The IUPAC name of 2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol (CID 134272351) is 2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol?
The canonical SMILES for 2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol is CSc1ncc2c(n1)N([C@@H]1CCC[C@@H]1C)CC(CCO)=C2.
What is the InChIKey of 2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol?
The InChIKey is IQNLYESOKTVFSP-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11-4-3-5-14(11)19-10-12(6-7-20)8-13-9-17-16(21-2)18-15(13)19/h8-9,11,14,20H,3-7,10H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of 2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol?
2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol has a molecular weight of 305.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(1R,2S)-2-methylcyclopentyl]-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 134272351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).