[2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

C10H14F3N3O — CID 114205971

IUPAC[2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCOC(C)Cc1ncc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-6(17-2)3-8-15-5-7(4-14)9(16-8)10(11,12)13/h5-6H,3-4,14H2,1-2H3
InChIKeyZYXBIZVZTJYIRJ-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.53
Rot. Bonds4

About [2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

[2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 114205971) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is [2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID114205971
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name[2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCOC(C)Cc1ncc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-6(17-2)3-8-15-5-7(4-14)9(16-8)10(11,12)13/h5-6H,3-4,14H2,1-2H3
InChIKeyZYXBIZVZTJYIRJ-UHFFFAOYSA-N
XLogP1.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 114205971) is [2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is COC(C)Cc1ncc(CN)c(C(F)(F)F)n1.
What is the InChIKey of [2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is ZYXBIZVZTJYIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6(17-2)3-8-15-5-7(4-14)9(16-8)10(11,12)13/h5-6H,3-4,14H2,1-2H3.
What are the key properties of [2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 249.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114205971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).