N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C10H15N3O4S — CID 106244323

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4S/c1-10(17,5-18-2)4-11-8(15)6-3-7(14)13-9(16)12-6/h3,17H,4-5H2,1-2H3,(H,11,15)(H2,12,13,14,16)
InChIKeyDEYYBGAOTPVBSQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP-1.09
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 106244323) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID106244323
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4S/c1-10(17,5-18-2)4-11-8(15)6-3-7(14)13-9(16)12-6/h3,17H,4-5H2,1-2H3,(H,11,15)(H2,12,13,14,16)
InChIKeyDEYYBGAOTPVBSQ-UHFFFAOYSA-N
XLogP-1.09
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 106244323) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is CSCC(C)(O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is DEYYBGAOTPVBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-10(17,5-18-2)4-11-8(15)6-3-7(14)13-9(16)12-6/h3,17H,4-5H2,1-2H3,(H,11,15)(H2,12,13,14,16).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 273.31 g/mol, XLogP of -1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 106244323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).