2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H17N5O4S — CID 2170302

IUPAC2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccccc1-n1c(N)cc(=O)nc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C17H17N5O4S/c1-10-7-14(21-26-10)19-16(24)9-27-17-20-15(23)8-13(18)22(17)11-5-3-4-6-12(11)25-2/h3-8H,9,18H2,1-2H3,(H,19,21,24)
InChIKeyYWJJNLVBYIDDPD-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.85
Rot. Bonds6

About 2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2170302) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2170302
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccccc1-n1c(N)cc(=O)nc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C17H17N5O4S/c1-10-7-14(21-26-10)19-16(24)9-27-17-20-15(23)8-13(18)22(17)11-5-3-4-6-12(11)25-2/h3-8H,9,18H2,1-2H3,(H,19,21,24)
InChIKeyYWJJNLVBYIDDPD-UHFFFAOYSA-N
XLogP1.85
TPSA125.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2170302) is 2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccccc1-n1c(N)cc(=O)nc1SCC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is YWJJNLVBYIDDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-10-7-14(21-26-10)19-16(24)9-27-17-20-15(23)8-13(18)22(17)11-5-3-4-6-12(11)25-2/h3-8H,9,18H2,1-2H3,(H,19,21,24).
What are the key properties of 2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 387.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2170302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).