6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine

C13H19ClF3N3O — CID 106767500

IUPAC6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(CC)N(CCOC)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19ClF3N3O/c1-4-9(5-2)20(6-7-21-3)11-8-10(14)18-12(19-11)13(15,16)17/h8-9H,4-7H2,1-3H3
InChIKeyVNQDAXFIHZJNEF-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.79
Rot. Bonds7

About 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767500) has the molecular formula C13H19ClF3N3O and a molecular weight of 325.76 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767500
Molecular FormulaC13H19ClF3N3O
Molecular Weight325.76 g/mol
Exact Mass325.12
IUPAC Name6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(CC)N(CCOC)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19ClF3N3O/c1-4-9(5-2)20(6-7-21-3)11-8-10(14)18-12(19-11)13(15,16)17/h8-9H,4-7H2,1-3H3
InChIKeyVNQDAXFIHZJNEF-UHFFFAOYSA-N
XLogP3.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767500) is 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine is CCC(CC)N(CCOC)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VNQDAXFIHZJNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF3N3O/c1-4-9(5-2)20(6-7-21-3)11-8-10(14)18-12(19-11)13(15,16)17/h8-9H,4-7H2,1-3H3.
What are the key properties of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 325.76 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).