2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C11H15N3O3S — CID 156734462

IUPAC2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(S(C)(O)O)nc21
InChIInChI=1S/C11H15N3O3S/c1-7(2)14-9(15)5-4-8-6-12-11(13-10(8)14)18(3,16)17/h4-7,16-17H,1-3H3
InChIKeySXBALGCZVCIDFI-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.11
Rot. Bonds2

About 2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 156734462) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID156734462
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(S(C)(O)O)nc21
InChIInChI=1S/C11H15N3O3S/c1-7(2)14-9(15)5-4-8-6-12-11(13-10(8)14)18(3,16)17/h4-7,16-17H,1-3H3
InChIKeySXBALGCZVCIDFI-UHFFFAOYSA-N
XLogP2.11
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 156734462) is 2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)ccc2cnc(S(C)(O)O)nc21.
What is the InChIKey of 2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SXBALGCZVCIDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7(2)14-9(15)5-4-8-6-12-11(13-10(8)14)18(3,16)17/h4-7,16-17H,1-3H3.
What are the key properties of 2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 269.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156734462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).