2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one

C18H19ClN6O2S — CID 138713435

IUPAC2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one
SMILESCCSc1ccc(CNc2nc3cnc(Cl)nc3n(C3CCOC3)c2=O)nc1
InChIInChI=1S/C18H19ClN6O2S/c1-2-28-13-4-3-11(20-8-13)7-21-15-17(26)25(12-5-6-27-10-12)16-14(23-15)9-22-18(19)24-16/h3-4,8-9,12H,2,5-7,10H2,1H3,(H,21,23)
InChIKeyGYUGQALFHXGQHY-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.92
Rot. Bonds6

About 2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one

2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one (PubChem CID 138713435) has the molecular formula C18H19ClN6O2S and a molecular weight of 418.91 g/mol. Its IUPAC name is 2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one.

Molecular Properties

Compound Name2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one
PubChem CID138713435
Molecular FormulaC18H19ClN6O2S
Molecular Weight418.91 g/mol
Exact Mass418.10
IUPAC Name2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one
SMILESCCSc1ccc(CNc2nc3cnc(Cl)nc3n(C3CCOC3)c2=O)nc1
InChIInChI=1S/C18H19ClN6O2S/c1-2-28-13-4-3-11(20-8-13)7-21-15-17(26)25(12-5-6-27-10-12)16-14(23-15)9-22-18(19)24-16/h3-4,8-9,12H,2,5-7,10H2,1H3,(H,21,23)
InChIKeyGYUGQALFHXGQHY-UHFFFAOYSA-N
XLogP2.92
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one with MolForge

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Related Compounds

2-chloro-8-cyclopropyl-6-[(4-ethylsulfanylphenyl)methylamino]pteridin-7-one
CID 138713411
1-[2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-7-oxopteridin-8-yl]cyclopropane-1-carbonitrile
CID 138712932
2-(4,6-dicyclopropylpyrimidin-5-yl)-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(3R)-oxolan-3-yl]pteridin-7-one
CID 118440415
2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one
CID 118440694
2-chloro-8-[(1R)-1-cyclopropylethyl]-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]pteridin-7-one
CID 118440613
2-chloro-8-(1-cyclopropylethyl)-6-[(6-ethylsulfanyl-3-pyridinyl)methylamino]pteridin-7-one
CID 144947504
2-[2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-7-oxopteridin-8-yl]-3-methylbutanenitrile
CID 138713414
6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide
CID 118440658
6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one
CID 154986759
4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine
CID 144686812
8-butan-2-yl-2-chloro-6-[(4-methylsulfonylphenyl)methylamino]pteridin-7-one
CID 118440569
(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
CID 71603101

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one?
The IUPAC name of 2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one (CID 138713435) is 2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one.
What is the SMILES notation for 2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one?
The canonical SMILES for 2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one is CCSc1ccc(CNc2nc3cnc(Cl)nc3n(C3CCOC3)c2=O)nc1.
What is the InChIKey of 2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one?
The InChIKey is GYUGQALFHXGQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2S/c1-2-28-13-4-3-11(20-8-13)7-21-15-17(26)25(12-5-6-27-10-12)16-14(23-15)9-22-18(19)24-16/h3-4,8-9,12H,2,5-7,10H2,1H3,(H,21,23).
What are the key properties of 2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one?
2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one has a molecular weight of 418.91 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one is sourced from PubChem (CID 138713435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).