5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine

C8H9ClF3N3 — CID 139833069

IUPAC5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine
SMILESCC(CNc1ncncc1Cl)C(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-5(8(10,11)12)2-14-7-6(9)3-13-4-15-7/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyXCNMCQKRXUTFJQ-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.74
Rot. Bonds3

About 5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine

5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine (PubChem CID 139833069) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine
PubChem CID139833069
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine
SMILESCC(CNc1ncncc1Cl)C(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-5(8(10,11)12)2-14-7-6(9)3-13-4-15-7/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyXCNMCQKRXUTFJQ-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine (CID 139833069) is 5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine is CC(CNc1ncncc1Cl)C(F)(F)F.
What is the InChIKey of 5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine?
The InChIKey is XCNMCQKRXUTFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-5(8(10,11)12)2-14-7-6(9)3-13-4-15-7/h3-5H,2H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine?
5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine has a molecular weight of 239.63 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 139833069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).