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

C16H18FN3O2 — CID 24987285

IUPACethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)nc(N)nc1C(C)C
InChIInChI=1S/C16H18FN3O2/c1-4-22-15(21)12-13(9(2)3)19-16(18)20-14(12)10-5-7-11(17)8-6-10/h5-9H,4H2,1-3H3,(H2,18,19,20)
InChIKeyQLXLISAWVGPSSW-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.16
Rot. Bonds4

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

ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate (PubChem CID 24987285) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate
PubChem CID24987285
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Nameethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)nc(N)nc1C(C)C
InChIInChI=1S/C16H18FN3O2/c1-4-22-15(21)12-13(9(2)3)19-16(18)20-14(12)10-5-7-11(17)8-6-10/h5-9H,4H2,1-3H3,(H2,18,19,20)
InChIKeyQLXLISAWVGPSSW-UHFFFAOYSA-N
XLogP3.16
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate (CID 24987285) is ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)nc(N)nc1C(C)C.
What is the InChIKey of ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate?
The InChIKey is QLXLISAWVGPSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-4-22-15(21)12-13(9(2)3)19-16(18)20-14(12)10-5-7-11(17)8-6-10/h5-9H,4H2,1-3H3,(H2,18,19,20).
What are the key properties of ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate?
ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate has a molecular weight of 303.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 24987285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).