5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine

C19H17F3N4O — CID 153393203

IUPAC5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine
SMILESCCOc1nc(N)nc(-c2ccc(F)cc2)c1-c1cc(C)nc(C(F)F)c1
InChIInChI=1S/C19H17F3N4O/c1-3-27-18-15(12-8-10(2)24-14(9-12)17(21)22)16(25-19(23)26-18)11-4-6-13(20)7-5-11/h4-9,17H,3H2,1-2H3,(H2,23,25,26)
InChIKeyUVFKMYNFCMNVRE-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.57
Rot. Bonds5

About 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine

5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine (PubChem CID 153393203) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine
PubChem CID153393203
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine
SMILESCCOc1nc(N)nc(-c2ccc(F)cc2)c1-c1cc(C)nc(C(F)F)c1
InChIInChI=1S/C19H17F3N4O/c1-3-27-18-15(12-8-10(2)24-14(9-12)17(21)22)16(25-19(23)26-18)11-4-6-13(20)7-5-11/h4-9,17H,3H2,1-2H3,(H2,23,25,26)
InChIKeyUVFKMYNFCMNVRE-UHFFFAOYSA-N
XLogP4.57
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine (CID 153393203) is 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine is CCOc1nc(N)nc(-c2ccc(F)cc2)c1-c1cc(C)nc(C(F)F)c1.
What is the InChIKey of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine?
The InChIKey is UVFKMYNFCMNVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-3-27-18-15(12-8-10(2)24-14(9-12)17(21)22)16(25-19(23)26-18)11-4-6-13(20)7-5-11/h4-9,17H,3H2,1-2H3,(H2,23,25,26).
What are the key properties of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine?
5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine has a molecular weight of 374.37 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 153393203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).