4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine

C10H14ClF3N4 — CID 142624257

IUPAC4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine
SMILESC1CCNCC1.Nc1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C5H3ClF3N3.C5H11N/c6-3-2(5(7,8)9)1-11-4(10)12-3;1-2-4-6-5-3-1/h1H,(H2,10,11,12);6H,1-5H2
InChIKeyBWYJJHRGTJCUFN-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.49
Rot. Bonds

About 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine

4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine (PubChem CID 142624257) has the molecular formula C10H14ClF3N4 and a molecular weight of 282.70 g/mol. Its IUPAC name is 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine.

Molecular Properties

Compound Name4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine
PubChem CID142624257
Molecular FormulaC10H14ClF3N4
Molecular Weight282.70 g/mol
Exact Mass282.09
IUPAC Name4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine
SMILESC1CCNCC1.Nc1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C5H3ClF3N3.C5H11N/c6-3-2(5(7,8)9)1-11-4(10)12-3;1-2-4-6-5-3-1/h1H,(H2,10,11,12);6H,1-5H2
InChIKeyBWYJJHRGTJCUFN-UHFFFAOYSA-N
XLogP2.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine?
The IUPAC name of 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine (CID 142624257) is 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine.
What is the SMILES notation for 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine?
The canonical SMILES for 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine is C1CCNCC1.Nc1ncc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine?
The InChIKey is BWYJJHRGTJCUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N3.C5H11N/c6-3-2(5(7,8)9)1-11-4(10)12-3;1-2-4-6-5-3-1/h1H,(H2,10,11,12);6H,1-5H2.
What are the key properties of 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine?
4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine has a molecular weight of 282.70 g/mol, XLogP of 2.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;piperidine is sourced from PubChem (CID 142624257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).