6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C13H17ClF3N3O — CID 106767501

IUPAC6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCN(c1cc(Cl)nc(C(F)(F)F)n1)C(C)C1CC1
InChIInChI=1S/C13H17ClF3N3O/c1-8(9-3-4-9)20(5-6-21-2)11-7-10(14)18-12(19-11)13(15,16)17/h7-9H,3-6H2,1-2H3
InChIKeyKXNFBSGOPQRHTL-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.40
Rot. Bonds6

About 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767501) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767501
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC Name6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCN(c1cc(Cl)nc(C(F)(F)F)n1)C(C)C1CC1
InChIInChI=1S/C13H17ClF3N3O/c1-8(9-3-4-9)20(5-6-21-2)11-7-10(14)18-12(19-11)13(15,16)17/h7-9H,3-6H2,1-2H3
InChIKeyKXNFBSGOPQRHTL-UHFFFAOYSA-N
XLogP3.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767501) is 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine is COCCN(c1cc(Cl)nc(C(F)(F)F)n1)C(C)C1CC1.
What is the InChIKey of 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KXNFBSGOPQRHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c1-8(9-3-4-9)20(5-6-21-2)11-7-10(14)18-12(19-11)13(15,16)17/h7-9H,3-6H2,1-2H3.
What are the key properties of 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 323.75 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).