2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

C21H14F6N6O — CID 22030168

IUPAC2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
InChIInChI=1S/C21H14F6N6O/c1-34-10-16-32-18(30-11-4-7-15(29-9-11)21(25,26)27)12-5-6-14(31-19(12)33-16)17-13(20(22,23)24)3-2-8-28-17/h2-9H,10H2,1H3,(H,30,31,32,33)
InChIKeyJPJOMSXDVSPRCH-UHFFFAOYSA-N
MW480.37 g/mol
LogP5.41
Rot. Bonds5

About 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 22030168) has the molecular formula C21H14F6N6O and a molecular weight of 480.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID22030168
Molecular FormulaC21H14F6N6O
Molecular Weight480.37 g/mol
Exact Mass480.11
IUPAC Name2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
InChIInChI=1S/C21H14F6N6O/c1-34-10-16-32-18(30-11-4-7-15(29-9-11)21(25,26)27)12-5-6-14(31-19(12)33-16)17-13(20(22,23)24)3-2-8-28-17/h2-9H,10H2,1H3,(H,30,31,32,33)
InChIKeyJPJOMSXDVSPRCH-UHFFFAOYSA-N
XLogP5.41
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.37
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (CID 22030168) is 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is COCc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3C(F)(F)F)nc2n1.
What is the InChIKey of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is JPJOMSXDVSPRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N6O/c1-34-10-16-32-18(30-11-4-7-15(29-9-11)21(25,26)27)12-5-6-14(31-19(12)33-16)17-13(20(22,23)24)3-2-8-28-17/h2-9H,10H2,1H3,(H,30,31,32,33).
What are the key properties of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 480.37 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22030168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).