2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine

C9H9ClF3N3O — CID 171597922

IUPAC2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cnc(Cl)nc1NC1CCOC1
InChIInChI=1S/C9H9ClF3N3O/c10-8-14-3-6(9(11,12)13)7(16-8)15-5-1-2-17-4-5/h3,5H,1-2,4H2,(H,14,15,16)
InChIKeyZZAQJHMLXJDMAE-UHFFFAOYSA-N
MW267.64 g/mol
LogP2.35
Rot. Bonds2

About 2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 171597922) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID171597922
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cnc(Cl)nc1NC1CCOC1
InChIInChI=1S/C9H9ClF3N3O/c10-8-14-3-6(9(11,12)13)7(16-8)15-5-1-2-17-4-5/h3,5H,1-2,4H2,(H,14,15,16)
InChIKeyZZAQJHMLXJDMAE-UHFFFAOYSA-N
XLogP2.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 171597922) is 2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cnc(Cl)nc1NC1CCOC1.
What is the InChIKey of 2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZZAQJHMLXJDMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c10-8-14-3-6(9(11,12)13)7(16-8)15-5-1-2-17-4-5/h3,5H,1-2,4H2,(H,14,15,16).
What are the key properties of 2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 267.64 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 171597922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).