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

C10H13N3O3S — CID 43354528

IUPAC2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid
SMILESCSc1nc(C)nc(C)c1C(=O)NCC(=O)O
InChIInChI=1S/C10H13N3O3S/c1-5-8(9(16)11-4-7(14)15)10(17-3)13-6(2)12-5/h4H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyWBOXSKVYKRPCAP-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.63
Rot. Bonds4

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

2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 43354528) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid
PubChem CID43354528
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid
SMILESCSc1nc(C)nc(C)c1C(=O)NCC(=O)O
InChIInChI=1S/C10H13N3O3S/c1-5-8(9(16)11-4-7(14)15)10(17-3)13-6(2)12-5/h4H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyWBOXSKVYKRPCAP-UHFFFAOYSA-N
XLogP0.63
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.63
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]acetic acid?
The IUPAC name of 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid (CID 43354528) is 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid is CSc1nc(C)nc(C)c1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is WBOXSKVYKRPCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-5-8(9(16)11-4-7(14)15)10(17-3)13-6(2)12-5/h4H2,1-3H3,(H,11,16)(H,14,15).
What are the key properties of 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid?
2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 255.30 g/mol, XLogP of 0.63, 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]acetic acid is sourced from PubChem (CID 43354528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).