2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine

C9H12F3N3 — CID 22648766

IUPAC2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine
SMILESCC(C)C(N)c1cncnc1C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-5(2)7(13)6-3-14-4-15-8(6)9(10,11)12/h3-5,7H,13H2,1-2H3
InChIKeyPWEBMBHBWIUVHW-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.15
Rot. Bonds2

About 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine

2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine (PubChem CID 22648766) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine
PubChem CID22648766
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine
SMILESCC(C)C(N)c1cncnc1C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-5(2)7(13)6-3-14-4-15-8(6)9(10,11)12/h3-5,7H,13H2,1-2H3
InChIKeyPWEBMBHBWIUVHW-UHFFFAOYSA-N
XLogP2.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine (CID 22648766) is 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine is CC(C)C(N)c1cncnc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
The InChIKey is PWEBMBHBWIUVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-5(2)7(13)6-3-14-4-15-8(6)9(10,11)12/h3-5,7H,13H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine has a molecular weight of 219.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 22648766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).