2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine

C10H14F3N3 — CID 63321275

IUPAC2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine
SMILESCc1cc(C(F)(F)F)nc(C(N)C(C)C)n1
InChIInChI=1S/C10H14F3N3/c1-5(2)8(14)9-15-6(3)4-7(16-9)10(11,12)13/h4-5,8H,14H2,1-3H3
InChIKeyWWFCIDCCHKCBPA-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine

2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine (PubChem CID 63321275) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine
PubChem CID63321275
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine
SMILESCc1cc(C(F)(F)F)nc(C(N)C(C)C)n1
InChIInChI=1S/C10H14F3N3/c1-5(2)8(14)9-15-6(3)4-7(16-9)10(11,12)13/h4-5,8H,14H2,1-3H3
InChIKeyWWFCIDCCHKCBPA-UHFFFAOYSA-N
XLogP2.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.46
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-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine (CID 63321275) is 2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine is Cc1cc(C(F)(F)F)nc(C(N)C(C)C)n1.
What is the InChIKey of 2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine?
The InChIKey is WWFCIDCCHKCBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-5(2)8(14)9-15-6(3)4-7(16-9)10(11,12)13/h4-5,8H,14H2,1-3H3.
What are the key properties of 2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine?
2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine has a molecular weight of 233.24 g/mol, XLogP of 2.46, 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-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 63321275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).