N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide

C13H15FN6O3S — CID 130320463

IUPACN-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide
SMILESCNc1cc(NC(C)=O)nc(Sc2c(OC)nc(F)nc2OC)n1
InChIInChI=1S/C13H15FN6O3S/c1-6(21)16-8-5-7(15-2)17-13(18-8)24-9-10(22-3)19-12(14)20-11(9)23-4/h5H,1-4H3,(H2,15,16,17,18,21)
InChIKeyVHZHXPVRRIEBSO-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.57
Rot. Bonds6

About N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide

N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide (PubChem CID 130320463) has the molecular formula C13H15FN6O3S and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide
PubChem CID130320463
Molecular FormulaC13H15FN6O3S
Molecular Weight354.37 g/mol
Exact Mass354.09
IUPAC NameN-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide
SMILESCNc1cc(NC(C)=O)nc(Sc2c(OC)nc(F)nc2OC)n1
InChIInChI=1S/C13H15FN6O3S/c1-6(21)16-8-5-7(15-2)17-13(18-8)24-9-10(22-3)19-12(14)20-11(9)23-4/h5H,1-4H3,(H2,15,16,17,18,21)
InChIKeyVHZHXPVRRIEBSO-UHFFFAOYSA-N
XLogP1.57
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide (CID 130320463) is N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide is CNc1cc(NC(C)=O)nc(Sc2c(OC)nc(F)nc2OC)n1.
What is the InChIKey of N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide?
The InChIKey is VHZHXPVRRIEBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O3S/c1-6(21)16-8-5-7(15-2)17-13(18-8)24-9-10(22-3)19-12(14)20-11(9)23-4/h5H,1-4H3,(H2,15,16,17,18,21).
What are the key properties of N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide?
N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide has a molecular weight of 354.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanyl-6-(methylamino)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 130320463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).