2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid

C11H15N3O3S — CID 43355397

IUPAC2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid
SMILESCSc1nc(C)nc(C)c1C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H15N3O3S/c1-5-8(9(15)13-6(2)11(16)17)10(18-4)14-7(3)12-5/h6H,1-4H3,(H,13,15)(H,16,17)
InChIKeyCNFUNWOVRHMCJX-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.02
Rot. Bonds4

About 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid

2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid (PubChem CID 43355397) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid
PubChem CID43355397
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid
SMILESCSc1nc(C)nc(C)c1C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H15N3O3S/c1-5-8(9(15)13-6(2)11(16)17)10(18-4)14-7(3)12-5/h6H,1-4H3,(H,13,15)(H,16,17)
InChIKeyCNFUNWOVRHMCJX-UHFFFAOYSA-N
XLogP1.02
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid (CID 43355397) is 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid is CSc1nc(C)nc(C)c1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid?
The InChIKey is CNFUNWOVRHMCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-5-8(9(15)13-6(2)11(16)17)10(18-4)14-7(3)12-5/h6H,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid?
2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid has a molecular weight of 269.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43355397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).