2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid

C12H15N5O2S — CID 141147103

IUPAC2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCCCNc1cc(Nc2ncc(C(=O)O)s2)nc(C)n1
InChIInChI=1S/C12H15N5O2S/c1-3-4-13-9-5-10(16-7(2)15-9)17-12-14-6-8(20-12)11(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)(H2,13,14,15,16,17)
InChIKeySZWWPSRSQRWRFZ-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.51
Rot. Bonds6

About 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid

2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 141147103) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID141147103
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCCCNc1cc(Nc2ncc(C(=O)O)s2)nc(C)n1
InChIInChI=1S/C12H15N5O2S/c1-3-4-13-9-5-10(16-7(2)15-9)17-12-14-6-8(20-12)11(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)(H2,13,14,15,16,17)
InChIKeySZWWPSRSQRWRFZ-UHFFFAOYSA-N
XLogP2.51
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid (CID 141147103) is 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid is CCCNc1cc(Nc2ncc(C(=O)O)s2)nc(C)n1.
What is the InChIKey of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is SZWWPSRSQRWRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-3-4-13-9-5-10(16-7(2)15-9)17-12-14-6-8(20-12)11(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)(H2,13,14,15,16,17).
What are the key properties of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 141147103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).