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

C10H13N3O2S — CID 103063365

IUPAC4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CCSC2)ncc1C(=O)O
InChIInChI=1S/C10H13N3O2S/c1-6-8(9(14)15)4-11-10(12-6)13-7-2-3-16-5-7/h4,7H,2-3,5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyLSJPKDLZDAQVCD-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.40
Rot. Bonds3

About 4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid

4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid (PubChem CID 103063365) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
PubChem CID103063365
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CCSC2)ncc1C(=O)O
InChIInChI=1S/C10H13N3O2S/c1-6-8(9(14)15)4-11-10(12-6)13-7-2-3-16-5-7/h4,7H,2-3,5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyLSJPKDLZDAQVCD-UHFFFAOYSA-N
XLogP1.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid (CID 103063365) is 4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid is Cc1nc(NC2CCSC2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid?
The InChIKey is LSJPKDLZDAQVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-8(9(14)15)4-11-10(12-6)13-7-2-3-16-5-7/h4,7H,2-3,5H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid?
4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103063365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).