N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide

C12H12FN5O3S — CID 66973693

IUPACN-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide
SMILESCOc1nc(F)nc(OC)c1Sc1nccc(NC(C)=O)n1
InChIInChI=1S/C12H12FN5O3S/c1-6(19)15-7-4-5-14-12(16-7)22-8-9(20-2)17-11(13)18-10(8)21-3/h4-5H,1-3H3,(H,14,15,16,19)
InChIKeyKGYKAAVISRCRJQ-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.53
Rot. Bonds5

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

N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide (PubChem CID 66973693) has the molecular formula C12H12FN5O3S and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide
PubChem CID66973693
Molecular FormulaC12H12FN5O3S
Molecular Weight325.33 g/mol
Exact Mass325.06
IUPAC NameN-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide
SMILESCOc1nc(F)nc(OC)c1Sc1nccc(NC(C)=O)n1
InChIInChI=1S/C12H12FN5O3S/c1-6(19)15-7-4-5-14-12(16-7)22-8-9(20-2)17-11(13)18-10(8)21-3/h4-5H,1-3H3,(H,14,15,16,19)
InChIKeyKGYKAAVISRCRJQ-UHFFFAOYSA-N
XLogP1.53
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide (CID 66973693) is N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide is COc1nc(F)nc(OC)c1Sc1nccc(NC(C)=O)n1.
What is the InChIKey of N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide?
The InChIKey is KGYKAAVISRCRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O3S/c1-6(19)15-7-4-5-14-12(16-7)22-8-9(20-2)17-11(13)18-10(8)21-3/h4-5H,1-3H3,(H,14,15,16,19).
What are the key properties of N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide?
N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide has a molecular weight of 325.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 66973693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).