ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate

C20H26FN3O2 — CID 11530572

IUPACethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)nc(N(CC)CC)nc1C(C)C
InChIInChI=1S/C20H26FN3O2/c1-6-24(7-2)20-22-17(13(4)5)16(19(25)26-8-3)18(23-20)14-9-11-15(21)12-10-14/h9-13H,6-8H2,1-5H3
InChIKeySAXHUABHEKORAU-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.43
Rot. Bonds7

About ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate

ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate (PubChem CID 11530572) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate
PubChem CID11530572
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Nameethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)nc(N(CC)CC)nc1C(C)C
InChIInChI=1S/C20H26FN3O2/c1-6-24(7-2)20-22-17(13(4)5)16(19(25)26-8-3)18(23-20)14-9-11-15(21)12-10-14/h9-13H,6-8H2,1-5H3
InChIKeySAXHUABHEKORAU-UHFFFAOYSA-N
XLogP4.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-fluorophenyl)-2-(methylamino)-6-propan-2-ylpyrimidine-5-carboxylate
CID 19784633
ethyl 4-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-(2-methylpyrazol-3-yl)amino]-6-propan-2-ylpyrimidine-5-carboxylate
CID 59712156
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 2-(4-fluorophenyl)-5,7-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
CID 54289817
ethyl 2-chloro-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 163743025
methyl 4-(4-fluorophenyl)-6-propan-2-yl-2-(sulfanylmethyl)pyrimidine-5-carboxylate
CID 141456297
ethyl (E)-3-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]prop-2-enoate
CID 86621232
methyl 4-(4-fluorophenyl)-2-methylsulfonyl-6-propan-2-ylpyrimidine-5-carboxylate
CID 24865513
4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine
CID 89000283
ethyl 4-bromo-5-(4-fluorophenyl)-2-propan-2-yl-1H-pyrrole-3-carboxylate
CID 134952432
ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035682
ethyl 3-(4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
CID 69402118

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate (CID 11530572) is ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)nc(N(CC)CC)nc1C(C)C.
What is the InChIKey of ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate?
The InChIKey is SAXHUABHEKORAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-6-24(7-2)20-22-17(13(4)5)16(19(25)26-8-3)18(23-20)14-9-11-15(21)12-10-14/h9-13H,6-8H2,1-5H3.
What are the key properties of ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate?
ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate has a molecular weight of 359.45 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 11530572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).