2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid

C14H19N3O3S — CID 43395888

IUPAC2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid
SMILESCCCNC(=O)CSc1nc(C2CC2)nc(C)c1C(=O)O
InChIInChI=1S/C14H19N3O3S/c1-3-6-15-10(18)7-21-13-11(14(19)20)8(2)16-12(17-13)9-4-5-9/h9H,3-7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyZHROWWQJNRDZMN-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.98
Rot. Bonds7

About 2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid

2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid (PubChem CID 43395888) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid
PubChem CID43395888
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid
SMILESCCCNC(=O)CSc1nc(C2CC2)nc(C)c1C(=O)O
InChIInChI=1S/C14H19N3O3S/c1-3-6-15-10(18)7-21-13-11(14(19)20)8(2)16-12(17-13)9-4-5-9/h9H,3-7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyZHROWWQJNRDZMN-UHFFFAOYSA-N
XLogP1.98
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid (CID 43395888) is 2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid is CCCNC(=O)CSc1nc(C2CC2)nc(C)c1C(=O)O.
What is the InChIKey of 2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid?
The InChIKey is ZHROWWQJNRDZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-6-15-10(18)7-21-13-11(14(19)20)8(2)16-12(17-13)9-4-5-9/h9H,3-7H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid?
2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 43395888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).