6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine

C19H17F3N4O2 — CID 56744855

IUPAC6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2cccnc2Oc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C19H17F3N4O2/c1-27-11-15-9-17(26-12-25-15)24-10-13-4-3-7-23-18(13)28-16-6-2-5-14(8-16)19(20,21)22/h2-9,12H,10-11H2,1H3,(H,24,25,26)
InChIKeyWZMLKEZURUAFSZ-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.44
Rot. Bonds7

About 6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine

6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 56744855) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine
PubChem CID56744855
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2cccnc2Oc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C19H17F3N4O2/c1-27-11-15-9-17(26-12-25-15)24-10-13-4-3-7-23-18(13)28-16-6-2-5-14(8-16)19(20,21)22/h2-9,12H,10-11H2,1H3,(H,24,25,26)
InChIKeyWZMLKEZURUAFSZ-UHFFFAOYSA-N
XLogP4.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine (CID 56744855) is 6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine is COCc1cc(NCc2cccnc2Oc2cccc(C(F)(F)F)c2)ncn1.
What is the InChIKey of 6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine?
The InChIKey is WZMLKEZURUAFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-27-11-15-9-17(26-12-25-15)24-10-13-4-3-7-23-18(13)28-16-6-2-5-14(8-16)19(20,21)22/h2-9,12H,10-11H2,1H3,(H,24,25,26).
What are the key properties of 6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine?
6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 390.37 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 56744855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).