5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C14H14F3N3 — CID 104846675

IUPAC5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCc1c(N)nc(CCC(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C14H14F3N3/c1-9-12(10-5-3-2-4-6-10)19-11(20-13(9)18)7-8-14(15,16)17/h2-6H,7-8H2,1H3,(H2,18,19,20)
InChIKeyIZLCPRMAVCPEHD-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.53
Rot. Bonds3

About 5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 104846675) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID104846675
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCc1c(N)nc(CCC(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C14H14F3N3/c1-9-12(10-5-3-2-4-6-10)19-11(20-13(9)18)7-8-14(15,16)17/h2-6H,7-8H2,1H3,(H2,18,19,20)
InChIKeyIZLCPRMAVCPEHD-UHFFFAOYSA-N
XLogP3.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 104846675) is 5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is Cc1c(N)nc(CCC(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is IZLCPRMAVCPEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9-12(10-5-3-2-4-6-10)19-11(20-13(9)18)7-8-14(15,16)17/h2-6H,7-8H2,1H3,(H2,18,19,20).
What are the key properties of 5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 281.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 104846675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).