5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C12H10F3N3 — CID 102755489

IUPAC5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)ccc1-c1cnc(N)nc1
InChIInChI=1S/C12H10F3N3/c1-7-4-9(12(13,14)15)2-3-10(7)8-5-17-11(16)18-6-8/h2-6H,1H3,(H2,16,17,18)
InChIKeySIVUHOFWARHEQS-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.05
Rot. Bonds1

About 5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine

5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 102755489) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID102755489
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)ccc1-c1cnc(N)nc1
InChIInChI=1S/C12H10F3N3/c1-7-4-9(12(13,14)15)2-3-10(7)8-5-17-11(16)18-6-8/h2-6H,1H3,(H2,16,17,18)
InChIKeySIVUHOFWARHEQS-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 102755489) is 5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine is Cc1cc(C(F)(F)F)ccc1-c1cnc(N)nc1.
What is the InChIKey of 5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is SIVUHOFWARHEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-7-4-9(12(13,14)15)2-3-10(7)8-5-17-11(16)18-6-8/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 253.23 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 102755489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).