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

C12H17ClF3N3O2 — CID 106767495

IUPAC6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCN(c1cc(Cl)nc(C(F)(F)F)n1)C(C)COC
InChIInChI=1S/C12H17ClF3N3O2/c1-8(7-21-3)19(4-5-20-2)10-6-9(13)17-11(18-10)12(14,15)16/h6,8H,4-5,7H2,1-3H3
InChIKeyASVWTWNWAKOAGZ-UHFFFAOYSA-N
MW327.73 g/mol
LogP2.64
Rot. Bonds7

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

6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767495) has the molecular formula C12H17ClF3N3O2 and a molecular weight of 327.73 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767495
Molecular FormulaC12H17ClF3N3O2
Molecular Weight327.73 g/mol
Exact Mass327.10
IUPAC Name6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCN(c1cc(Cl)nc(C(F)(F)F)n1)C(C)COC
InChIInChI=1S/C12H17ClF3N3O2/c1-8(7-21-3)19(4-5-20-2)10-6-9(13)17-11(18-10)12(14,15)16/h6,8H,4-5,7H2,1-3H3
InChIKeyASVWTWNWAKOAGZ-UHFFFAOYSA-N
XLogP2.64
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767495) is 6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine is COCCN(c1cc(Cl)nc(C(F)(F)F)n1)C(C)COC.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ASVWTWNWAKOAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3O2/c1-8(7-21-3)19(4-5-20-2)10-6-9(13)17-11(18-10)12(14,15)16/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 327.73 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).