6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H7ClF3N3O — CID 106768408

IUPAC6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCc2ccoc2)n1
InChIInChI=1S/C10H7ClF3N3O/c11-7-3-8(15-4-6-1-2-18-5-6)17-9(16-7)10(12,13)14/h1-3,5H,4H2,(H,15,16,17)
InChIKeyZAKVJWFUPRHJEZ-UHFFFAOYSA-N
MW277.63 g/mol
LogP3.35
Rot. Bonds3

About 6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106768408) has the molecular formula C10H7ClF3N3O and a molecular weight of 277.63 g/mol. Its IUPAC name is 6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106768408
Molecular FormulaC10H7ClF3N3O
Molecular Weight277.63 g/mol
Exact Mass277.02
IUPAC Name6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCc2ccoc2)n1
InChIInChI=1S/C10H7ClF3N3O/c11-7-3-8(15-4-6-1-2-18-5-6)17-9(16-7)10(12,13)14/h1-3,5H,4H2,(H,15,16,17)
InChIKeyZAKVJWFUPRHJEZ-UHFFFAOYSA-N
XLogP3.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106768408) is 6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nc(Cl)cc(NCc2ccoc2)n1.
What is the InChIKey of 6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZAKVJWFUPRHJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3O/c11-7-3-8(15-4-6-1-2-18-5-6)17-9(16-7)10(12,13)14/h1-3,5H,4H2,(H,15,16,17).
What are the key properties of 6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 277.63 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106768408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).