(5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine

C20H24F2N2 — CID 123194917

IUPAC(5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine
SMILESCC=Cc1cc(F)cc(F)c1CN1CN=C(CC)/C(=C/C)C1=CC
InChIInChI=1S/C20H24F2N2/c1-5-9-14-10-15(21)11-18(22)17(14)12-24-13-23-19(7-3)16(6-2)20(24)8-4/h5-6,8-11H,7,12-13H2,1-4H3/b9-5?,16-6-,20-8?
InChIKeyWNMBKMDSSKZIPZ-YGDUHUFISA-N
MW330.42 g/mol
LogP5.47
Rot. Bonds4

About (5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine

(5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine (PubChem CID 123194917) has the molecular formula C20H24F2N2 and a molecular weight of 330.42 g/mol. Its IUPAC name is (5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine.

Molecular Properties

Compound Name(5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine
PubChem CID123194917
Molecular FormulaC20H24F2N2
Molecular Weight330.42 g/mol
Exact Mass330.19
IUPAC Name(5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine
SMILESCC=Cc1cc(F)cc(F)c1CN1CN=C(CC)/C(=C/C)C1=CC
InChIInChI=1S/C20H24F2N2/c1-5-9-14-10-15(21)11-18(22)17(14)12-24-13-23-19(7-3)16(6-2)20(24)8-4/h5-6,8-11H,7,12-13H2,1-4H3/b9-5?,16-6-,20-8?
InChIKeyWNMBKMDSSKZIPZ-YGDUHUFISA-N
XLogP5.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine?
The IUPAC name of (5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine (CID 123194917) is (5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine.
What is the SMILES notation for (5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine?
The canonical SMILES for (5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine is CC=Cc1cc(F)cc(F)c1CN1CN=C(CC)/C(=C/C)C1=CC.
What is the InChIKey of (5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine?
The InChIKey is WNMBKMDSSKZIPZ-YGDUHUFISA-N. The full InChI is InChI=1S/C20H24F2N2/c1-5-9-14-10-15(21)11-18(22)17(14)12-24-13-23-19(7-3)16(6-2)20(24)8-4/h5-6,8-11H,7,12-13H2,1-4H3/b9-5?,16-6-,20-8?.
What are the key properties of (5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine?
(5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine has a molecular weight of 330.42 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-[(2,4-difluoro-6-prop-1-enylphenyl)methyl]-4-ethyl-5,6-di(ethylidene)-2H-pyrimidine is sourced from PubChem (CID 123194917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).