4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid

C11H17N3O3S — CID 69311600

IUPAC4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid
SMILESCCc1nc(SC)nc(NC[C@@H](C)O)c1C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-4-7-8(10(16)17)9(12-5-6(2)15)14-11(13-7)18-3/h6,15H,4-5H2,1-3H3,(H,16,17)(H,12,13,14)/t6-/m1/s1
InChIKeySKYAHYNKPTZJGE-ZCFIWIBFSA-N
MW271.34 g/mol
LogP1.25
Rot. Bonds6

About 4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid

4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid (PubChem CID 69311600) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid
PubChem CID69311600
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid
SMILESCCc1nc(SC)nc(NC[C@@H](C)O)c1C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-4-7-8(10(16)17)9(12-5-6(2)15)14-11(13-7)18-3/h6,15H,4-5H2,1-3H3,(H,16,17)(H,12,13,14)/t6-/m1/s1
InChIKeySKYAHYNKPTZJGE-ZCFIWIBFSA-N
XLogP1.25
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid (CID 69311600) is 4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid is CCc1nc(SC)nc(NC[C@@H](C)O)c1C(=O)O.
What is the InChIKey of 4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid?
The InChIKey is SKYAHYNKPTZJGE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-7-8(10(16)17)9(12-5-6(2)15)14-11(13-7)18-3/h6,15H,4-5H2,1-3H3,(H,16,17)(H,12,13,14)/t6-/m1/s1.
What are the key properties of 4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid?
4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid has a molecular weight of 271.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[[(2R)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 69311600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).