6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C18H15F3N4O2 — CID 72694345

IUPAC6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(Nc3ncccc3C(F)(F)F)ncn2)cc1OC
InChIInChI=1S/C18H15F3N4O2/c1-26-14-6-5-11(8-15(14)27-2)13-9-16(24-10-23-13)25-17-12(18(19,20)21)4-3-7-22-17/h3-10H,1-2H3,(H,22,23,24,25)
InChIKeyGHFNLCMGFHUHHU-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.32
Rot. Bonds5

About 6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 72694345) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID72694345
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(Nc3ncccc3C(F)(F)F)ncn2)cc1OC
InChIInChI=1S/C18H15F3N4O2/c1-26-14-6-5-11(8-15(14)27-2)13-9-16(24-10-23-13)25-17-12(18(19,20)21)4-3-7-22-17/h3-10H,1-2H3,(H,22,23,24,25)
InChIKeyGHFNLCMGFHUHHU-UHFFFAOYSA-N
XLogP4.32
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 72694345) is 6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is COc1ccc(-c2cc(Nc3ncccc3C(F)(F)F)ncn2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is GHFNLCMGFHUHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-26-14-6-5-11(8-15(14)27-2)13-9-16(24-10-23-13)25-17-12(18(19,20)21)4-3-7-22-17/h3-10H,1-2H3,(H,22,23,24,25).
What are the key properties of 6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 376.34 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 72694345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).