6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid

C9H11N3O2S — CID 83872056

IUPAC6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
SMILESCSc1nc(NC2CC2)cc(C(=O)O)n1
InChIInChI=1S/C9H11N3O2S/c1-15-9-11-6(8(13)14)4-7(12-9)10-5-2-3-5/h4-5H,2-3H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyUPPWETVXPLWSGZ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.47
Rot. Bonds4

About 6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid

6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid (PubChem CID 83872056) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
PubChem CID83872056
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
SMILESCSc1nc(NC2CC2)cc(C(=O)O)n1
InChIInChI=1S/C9H11N3O2S/c1-15-9-11-6(8(13)14)4-7(12-9)10-5-2-3-5/h4-5H,2-3H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyUPPWETVXPLWSGZ-UHFFFAOYSA-N
XLogP1.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid
CID 22250300
4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826920
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 154582929
6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83852290
4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 114118397
6-chloro-N-(4,4-dimethylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80546831
4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 114541902
tert-butyl (3S)-3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 66569909
3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 80856633
4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80784078

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid (CID 83872056) is 6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid is CSc1nc(NC2CC2)cc(C(=O)O)n1.
What is the InChIKey of 6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
The InChIKey is UPPWETVXPLWSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-15-9-11-6(8(13)14)4-7(12-9)10-5-2-3-5/h4-5H,2-3H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83872056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).