N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C19H16F3N3 — CID 3235235

IUPACN-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2ncncc2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3/c1-13-5-4-6-14(9-13)10-24-18-16(11-23-12-25-18)15-7-2-3-8-17(15)19(20,21)22/h2-9,11-12H,10H2,1H3,(H,23,24,25)
InChIKeyUMBIWSCCNFMPBR-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.08
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3235235) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3235235
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC NameN-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2ncncc2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3/c1-13-5-4-6-14(9-13)10-24-18-16(11-23-12-25-18)15-7-2-3-8-17(15)19(20,21)22/h2-9,11-12H,10H2,1H3,(H,23,24,25)
InChIKeyUMBIWSCCNFMPBR-UHFFFAOYSA-N
XLogP5.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3235235) is N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1cccc(CNc2ncncc2-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is UMBIWSCCNFMPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c1-13-5-4-6-14(9-13)10-24-18-16(11-23-12-25-18)15-7-2-3-8-17(15)19(20,21)22/h2-9,11-12H,10H2,1H3,(H,23,24,25).
What are the key properties of N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 343.35 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3235235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).