3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide

C12H15N5OS — CID 71702074

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(C)nc(NCCC(=O)Nc2nccs2)n1
InChIInChI=1S/C12H15N5OS/c1-8-7-9(2)16-11(15-8)13-4-3-10(18)17-12-14-5-6-19-12/h5-7H,3-4H2,1-2H3,(H,13,15,16)(H,14,17,18)
InChIKeyZUFXNOXVTOZQGL-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.99
Rot. Bonds5

About 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide

3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 71702074) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID71702074
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(C)nc(NCCC(=O)Nc2nccs2)n1
InChIInChI=1S/C12H15N5OS/c1-8-7-9(2)16-11(15-8)13-4-3-10(18)17-12-14-5-6-19-12/h5-7H,3-4H2,1-2H3,(H,13,15,16)(H,14,17,18)
InChIKeyZUFXNOXVTOZQGL-UHFFFAOYSA-N
XLogP1.99
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide (CID 71702074) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(C)nc(NCCC(=O)Nc2nccs2)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ZUFXNOXVTOZQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8-7-9(2)16-11(15-8)13-4-3-10(18)17-12-14-5-6-19-12/h5-7H,3-4H2,1-2H3,(H,13,15,16)(H,14,17,18).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 277.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71702074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).