2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide

C14H15N3O3S — CID 135412570

IUPAC2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCOCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H15N3O3S/c1-20-8-11-7-12(18)17-14(16-11)21-9-13(19)15-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyMHEIBYXCKFWYJX-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.65
Rot. Bonds6

About 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide

2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 135412570) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID135412570
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCOCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H15N3O3S/c1-20-8-11-7-12(18)17-14(16-11)21-9-13(19)15-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyMHEIBYXCKFWYJX-UHFFFAOYSA-N
XLogP1.65
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide (CID 135412570) is 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide is COCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is MHEIBYXCKFWYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-20-8-11-7-12(18)17-14(16-11)21-9-13(19)15-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?
2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 305.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 135412570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).