2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid

C9H11N3O2S — CID 130550908

IUPAC2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCSC2)nc1
InChIInChI=1S/C9H11N3O2S/c13-8(14)6-3-10-9(11-4-6)12-7-1-2-15-5-7/h3-4,7H,1-2,5H2,(H,13,14)(H,10,11,12)
InChIKeyZICUHMDESSMTAO-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.09
Rot. Bonds3

About 2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid

2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid (PubChem CID 130550908) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
PubChem CID130550908
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCSC2)nc1
InChIInChI=1S/C9H11N3O2S/c13-8(14)6-3-10-9(11-4-6)12-7-1-2-15-5-7/h3-4,7H,1-2,5H2,(H,13,14)(H,10,11,12)
InChIKeyZICUHMDESSMTAO-UHFFFAOYSA-N
XLogP1.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(thian-4-ylamino)pyrimidine-5-carboxylic acid
CID 115043104
4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 103063365
2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
CID 115033816
4-(thiolan-3-ylamino)pyridine-2-carboxylic acid
CID 103063321
4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine
CID 103064279
3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid
CID 107063139
3-nitro-4-(thiolan-3-ylamino)benzoic acid
CID 103063320
2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532811
3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid
CID 103065148
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
5-chloro-N-(thiolan-3-yl)pyridin-2-amine
CID 103705049
5-amino-2-(thiolan-3-ylamino)pyridine-3-carboxamide
CID 103062322

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid (CID 130550908) is 2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(NC2CCSC2)nc1.
What is the InChIKey of 2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid?
The InChIKey is ZICUHMDESSMTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-8(14)6-3-10-9(11-4-6)12-7-1-2-15-5-7/h3-4,7H,1-2,5H2,(H,13,14)(H,10,11,12).
What are the key properties of 2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid?
2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 130550908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).