4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine

C12H17N5S — CID 72928411

IUPAC4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine
SMILESCc1ncnc(NCCCc2csc(N)n2)c1C
InChIInChI=1S/C12H17N5S/c1-8-9(2)15-7-16-11(8)14-5-3-4-10-6-18-12(13)17-10/h6-7H,3-5H2,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyYLXJIFGRYNIZSK-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.18
Rot. Bonds5

About 4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine

4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine (PubChem CID 72928411) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine
PubChem CID72928411
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine
SMILESCc1ncnc(NCCCc2csc(N)n2)c1C
InChIInChI=1S/C12H17N5S/c1-8-9(2)15-7-16-11(8)14-5-3-4-10-6-18-12(13)17-10/h6-7H,3-5H2,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyYLXJIFGRYNIZSK-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine (CID 72928411) is 4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine is Cc1ncnc(NCCCc2csc(N)n2)c1C.
What is the InChIKey of 4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
The InChIKey is YLXJIFGRYNIZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-8-9(2)15-7-16-11(8)14-5-3-4-10-6-18-12(13)17-10/h6-7H,3-5H2,1-2H3,(H2,13,17)(H,14,15,16).
What are the key properties of 4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72928411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).