2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine

C8H9ClF3N3 — CID 175978883

IUPAC2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)nc(N)c1C(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-2-3-4-5(8(10,11)12)6(13)15-7(9)14-4/h2-3H2,1H3,(H2,13,14,15)
InChIKeyIUVLYIFOXBFNSE-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.68
Rot. Bonds2

About 2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine

2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 175978883) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID175978883
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)nc(N)c1C(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-2-3-4-5(8(10,11)12)6(13)15-7(9)14-4/h2-3H2,1H3,(H2,13,14,15)
InChIKeyIUVLYIFOXBFNSE-UHFFFAOYSA-N
XLogP2.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 175978883) is 2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine is CCCc1nc(Cl)nc(N)c1C(F)(F)F.
What is the InChIKey of 2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IUVLYIFOXBFNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-2-3-4-5(8(10,11)12)6(13)15-7(9)14-4/h2-3H2,1H3,(H2,13,14,15).
What are the key properties of 2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 239.63 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 175978883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).