N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide

C15H16N6O4S — CID 4127473

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C15H16N6O4S/c1-7-5-9(19-25-7)18-10(22)6-26-13-11-12(16-8(2)17-13)20(3)15(24)21(4)14(11)23/h5H,6H2,1-4H3,(H,18,19,22)
InChIKeyKLVZWCAQMGHPND-UHFFFAOYSA-N
MW376.40 g/mol
LogP0.36
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide (PubChem CID 4127473) has the molecular formula C15H16N6O4S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
PubChem CID4127473
Molecular FormulaC15H16N6O4S
Molecular Weight376.40 g/mol
Exact Mass376.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C15H16N6O4S/c1-7-5-9(19-25-7)18-10(22)6-26-13-11-12(16-8(2)17-13)20(3)15(24)21(4)14(11)23/h5H,6H2,1-4H3,(H,18,19,22)
InChIKeyKLVZWCAQMGHPND-UHFFFAOYSA-N
XLogP0.36
TPSA124.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide (CID 4127473) is N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide?
The InChIKey is KLVZWCAQMGHPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O4S/c1-7-5-9(19-25-7)18-10(22)6-26-13-11-12(16-8(2)17-13)20(3)15(24)21(4)14(11)23/h5H,6H2,1-4H3,(H,18,19,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide has a molecular weight of 376.40 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide is sourced from PubChem (CID 4127473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).