4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine

C12H17N5S — CID 50951268

IUPAC4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCc1cnc(C)nc1NCc1csc(N)n1
InChIInChI=1S/C12H17N5S/c1-3-4-9-5-14-8(2)16-11(9)15-6-10-7-18-12(13)17-10/h5,7H,3-4,6H2,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyYUXFKTPUXGGBAZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.39
Rot. Bonds5

About 4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine

4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 50951268) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID50951268
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCc1cnc(C)nc1NCc1csc(N)n1
InChIInChI=1S/C12H17N5S/c1-3-4-9-5-14-8(2)16-11(9)15-6-10-7-18-12(13)17-10/h5,7H,3-4,6H2,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyYUXFKTPUXGGBAZ-UHFFFAOYSA-N
XLogP2.39
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine (CID 50951268) is 4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine is CCCc1cnc(C)nc1NCc1csc(N)n1.
What is the InChIKey of 4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is YUXFKTPUXGGBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-3-4-9-5-14-8(2)16-11(9)15-6-10-7-18-12(13)17-10/h5,7H,3-4,6H2,1-2H3,(H2,13,17)(H,14,15,16).
What are the key properties of 4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 50951268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).