6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine

C20H19F2N3O2 — CID 135246340

IUPAC6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine
SMILESCC1N=CN=C(Oc2ccc(C(C)(F)F)nc2)C1c1cccc2c1OCC2
InChIInChI=1S/C20H19F2N3O2/c1-12-17(15-5-3-4-13-8-9-26-18(13)15)19(25-11-24-12)27-14-6-7-16(23-10-14)20(2,21)22/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyUWVHUYIIYCOTLW-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.12
Rot. Bonds3

About 6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine

6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine (PubChem CID 135246340) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine
PubChem CID135246340
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine
SMILESCC1N=CN=C(Oc2ccc(C(C)(F)F)nc2)C1c1cccc2c1OCC2
InChIInChI=1S/C20H19F2N3O2/c1-12-17(15-5-3-4-13-8-9-26-18(13)15)19(25-11-24-12)27-14-6-7-16(23-10-14)20(2,21)22/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyUWVHUYIIYCOTLW-UHFFFAOYSA-N
XLogP4.12
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine?
The IUPAC name of 6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine (CID 135246340) is 6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine.
What is the SMILES notation for 6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine?
The canonical SMILES for 6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine is CC1N=CN=C(Oc2ccc(C(C)(F)F)nc2)C1c1cccc2c1OCC2.
What is the InChIKey of 6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine?
The InChIKey is UWVHUYIIYCOTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-12-17(15-5-3-4-13-8-9-26-18(13)15)19(25-11-24-12)27-14-6-7-16(23-10-14)20(2,21)22/h3-7,10-12,17H,8-9H2,1-2H3.
What are the key properties of 6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine?
6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine has a molecular weight of 371.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-4,5-dihydropyrimidine is sourced from PubChem (CID 135246340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).