5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C12H11F3N4 — CID 117090526

IUPAC5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C12H11F3N4/c1-7-6-17-11(19-10(7)16)18-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19)
InChIKeySZXZXGVTDAOBMC-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.13
Rot. Bonds2

About 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 117090526) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID117090526
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C12H11F3N4/c1-7-6-17-11(19-10(7)16)18-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19)
InChIKeySZXZXGVTDAOBMC-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 117090526) is 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1N.
What is the InChIKey of 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is SZXZXGVTDAOBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-7-6-17-11(19-10(7)16)18-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19).
What are the key properties of 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 268.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 117090526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).