(Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one

C19H29FN2O — CID 142121452

IUPAC(Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one
SMILESCCc1nc(C/C(=C/C(=O)CC(C)C)C(CC)CC)ncc1F
InChIInChI=1S/C19H29FN2O/c1-6-14(7-2)15(10-16(23)9-13(4)5)11-19-21-12-17(20)18(8-3)22-19/h10,12-14H,6-9,11H2,1-5H3/b15-10-
InChIKeyDQCMAUUHAFUKJY-GDNBJRDFSA-N
MW320.45 g/mol
LogP4.70
Rot. Bonds9

About (Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one

(Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one (PubChem CID 142121452) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is (Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one.

Molecular Properties

Compound Name(Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one
PubChem CID142121452
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name(Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one
SMILESCCc1nc(C/C(=C/C(=O)CC(C)C)C(CC)CC)ncc1F
InChIInChI=1S/C19H29FN2O/c1-6-14(7-2)15(10-16(23)9-13(4)5)11-19-21-12-17(20)18(8-3)22-19/h10,12-14H,6-9,11H2,1-5H3/b15-10-
InChIKeyDQCMAUUHAFUKJY-GDNBJRDFSA-N
XLogP4.70
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10023592, Example 512
CID 118027878
US10023592, Example 513
CID 118027879
1-[4-Tert-butyl-2-(trifluoromethyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one
CID 20585688
5-Isopropylcarbonyl-4-trifluoromethylpyrimidine
CID 22648741
4-Methyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]pentan-2-one
CID 58138264
4,5-Di(propan-2-yl)-2-(trifluoromethyl)pyrimidine
CID 58874449
2-Methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]propan-1-one
CID 67968356
4-Ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 71195045
5-Fluoro-2-methyl-4-propan-2-ylpyrimidine
CID 84649954
5-Methyl-4-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrimidine
CID 86286240
2-Tert-butyl-5-fluoro-4-propan-2-ylpyrimidine
CID 89604315
2-(5-Fluoro-4-propan-2-ylpyrimidin-2-yl)propan-2-ol
CID 89604316

Frequently Asked Questions

What is the IUPAC name of (Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one?
The IUPAC name of (Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one (CID 142121452) is (Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one.
What is the SMILES notation for (Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one?
The canonical SMILES for (Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one is CCc1nc(C/C(=C/C(=O)CC(C)C)C(CC)CC)ncc1F.
What is the InChIKey of (Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one?
The InChIKey is DQCMAUUHAFUKJY-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-6-14(7-2)15(10-16(23)9-13(4)5)11-19-21-12-17(20)18(8-3)22-19/h10,12-14H,6-9,11H2,1-5H3/b15-10-.
What are the key properties of (Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one?
(Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one has a molecular weight of 320.45 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-ethyl-6-[(4-ethyl-5-fluoropyrimidin-2-yl)methyl]-2-methylnon-5-en-4-one is sourced from PubChem (CID 142121452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).