1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine

C12H14F3N3 — CID 23465893

IUPAC1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CC(c2ccc(C(F)(F)F)cc2)CN=C1N
InChIInChI=1S/C12H14F3N3/c1-18-7-9(6-17-11(18)16)8-2-4-10(5-3-8)12(13,14)15/h2-5,9H,6-7H2,1H3,(H2,16,17)
InChIKeyDXWCLEYLJDZJKX-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.05
Rot. Bonds1

About 1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 23465893) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID23465893
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CC(c2ccc(C(F)(F)F)cc2)CN=C1N
InChIInChI=1S/C12H14F3N3/c1-18-7-9(6-17-11(18)16)8-2-4-10(5-3-8)12(13,14)15/h2-5,9H,6-7H2,1H3,(H2,16,17)
InChIKeyDXWCLEYLJDZJKX-UHFFFAOYSA-N
XLogP2.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine (CID 23465893) is 1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine is CN1CC(c2ccc(C(F)(F)F)cc2)CN=C1N.
What is the InChIKey of 1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is DXWCLEYLJDZJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-18-7-9(6-17-11(18)16)8-2-4-10(5-3-8)12(13,14)15/h2-5,9H,6-7H2,1H3,(H2,16,17).
What are the key properties of 1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 257.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 23465893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).