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

C16H16FN5S — CID 52948100

IUPAC5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccccc3F)nc(N)n2)s1
InChIInChI=1S/C16H16FN5S/c1-2-7-19-16-20-9-14(23-16)13-8-12(21-15(18)22-13)10-5-3-4-6-11(10)17/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyRZZSNJOJUZDASK-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.81
Rot. Bonds5

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

5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 52948100) has the molecular formula C16H16FN5S and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID52948100
Molecular FormulaC16H16FN5S
Molecular Weight329.40 g/mol
Exact Mass329.11
IUPAC Name5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccccc3F)nc(N)n2)s1
InChIInChI=1S/C16H16FN5S/c1-2-7-19-16-20-9-14(23-16)13-8-12(21-15(18)22-13)10-5-3-4-6-11(10)17/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyRZZSNJOJUZDASK-UHFFFAOYSA-N
XLogP3.81
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (CID 52948100) is 5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cc(-c3ccccc3F)nc(N)n2)s1.
What is the InChIKey of 5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is RZZSNJOJUZDASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5S/c1-2-7-19-16-20-9-14(23-16)13-8-12(21-15(18)22-13)10-5-3-4-6-11(10)17/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 329.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52948100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).