N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine

C11H16F3N3 — CID 55114287

IUPACN-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-7(2)15-6-9-4-8(3)16-10(17-9)5-11(12,13)14/h4,7,15H,5-6H2,1-3H3
InChIKeyKTPXTYJGZXFNBV-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.39
Rot. Bonds4

About N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine

N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 55114287) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID55114287
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-7(2)15-6-9-4-8(3)16-10(17-9)5-11(12,13)14/h4,7,15H,5-6H2,1-3H3
InChIKeyKTPXTYJGZXFNBV-UHFFFAOYSA-N
XLogP2.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine (CID 55114287) is N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine is Cc1cc(CNC(C)C)nc(CC(F)(F)F)n1.
What is the InChIKey of N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is KTPXTYJGZXFNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7(2)15-6-9-4-8(3)16-10(17-9)5-11(12,13)14/h4,7,15H,5-6H2,1-3H3.
What are the key properties of N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine?
N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 247.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55114287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).