N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C13H12F3N3 — CID 3235066

IUPACN,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3/c1-19(2)11-7-8-17-12(18-11)9-5-3-4-6-10(9)13(14,15)16/h3-8H,1-2H3
InChIKeyFLEAEGYJLVDCMW-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.23
Rot. Bonds2

About N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3235066) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3235066
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3/c1-19(2)11-7-8-17-12(18-11)9-5-3-4-6-10(9)13(14,15)16/h3-8H,1-2H3
InChIKeyFLEAEGYJLVDCMW-UHFFFAOYSA-N
XLogP3.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3235066) is N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is CN(C)c1ccnc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is FLEAEGYJLVDCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-19(2)11-7-8-17-12(18-11)9-5-3-4-6-10(9)13(14,15)16/h3-8H,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 267.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3235066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).