4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine

C5H3ClF3N3O — CID 15022717

IUPAC4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(OC(F)(F)F)n1
InChIInChI=1S/C5H3ClF3N3O/c6-2-1-3(12-4(10)11-2)13-5(7,8)9/h1H,(H2,10,11,12)
InChIKeyPYNFENDWSOVBBE-UHFFFAOYSA-N
MW213.55 g/mol
LogP1.61
Rot. Bonds1

About 4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine

4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine (PubChem CID 15022717) has the molecular formula C5H3ClF3N3O and a molecular weight of 213.55 g/mol. Its IUPAC name is 4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine
PubChem CID15022717
Molecular FormulaC5H3ClF3N3O
Molecular Weight213.55 g/mol
Exact Mass212.99
IUPAC Name4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(OC(F)(F)F)n1
InChIInChI=1S/C5H3ClF3N3O/c6-2-1-3(12-4(10)11-2)13-5(7,8)9/h1H,(H2,10,11,12)
InChIKeyPYNFENDWSOVBBE-UHFFFAOYSA-N
XLogP1.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.55
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine (CID 15022717) is 4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine is Nc1nc(Cl)cc(OC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine?
The InChIKey is PYNFENDWSOVBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N3O/c6-2-1-3(12-4(10)11-2)13-5(7,8)9/h1H,(H2,10,11,12).
What are the key properties of 4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine?
4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine has a molecular weight of 213.55 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(trifluoromethoxy)pyrimidin-2-amine is sourced from PubChem (CID 15022717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).