6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C10H13ClF3N3O — CID 106767347

IUPAC6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCC(C)N(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-6(5-18-3)17(2)8-4-7(11)15-9(16-8)10(12,13)14/h4,6H,5H2,1-3H3
InChIKeyUJZDLSGHRVGRFH-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.62
Rot. Bonds4

About 6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767347) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767347
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCC(C)N(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-6(5-18-3)17(2)8-4-7(11)15-9(16-8)10(12,13)14/h4,6H,5H2,1-3H3
InChIKeyUJZDLSGHRVGRFH-UHFFFAOYSA-N
XLogP2.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.62
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-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767347) is 6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is COCC(C)N(C)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UJZDLSGHRVGRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-6(5-18-3)17(2)8-4-7(11)15-9(16-8)10(12,13)14/h4,6H,5H2,1-3H3.
What are the key properties of 6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 283.68 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methoxypropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).