4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine

C15H19FN4 — CID 80958034

IUPAC4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(c1ccc(F)cc1)c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C15H19FN4/c1-4-20(12-7-5-11(16)6-8-12)14-9-13(17)18-15(19-14)10(2)3/h5-10H,4H2,1-3H3,(H2,17,18,19)
InChIKeyWCVWHWGPDRDARO-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.48
Rot. Bonds4

About 4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80958034) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80958034
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(c1ccc(F)cc1)c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C15H19FN4/c1-4-20(12-7-5-11(16)6-8-12)14-9-13(17)18-15(19-14)10(2)3/h5-10H,4H2,1-3H3,(H2,17,18,19)
InChIKeyWCVWHWGPDRDARO-UHFFFAOYSA-N
XLogP3.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80958034) is 4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCN(c1ccc(F)cc1)c1cc(N)nc(C(C)C)n1.
What is the InChIKey of 4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is WCVWHWGPDRDARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-20(12-7-5-11(16)6-8-12)14-9-13(17)18-15(19-14)10(2)3/h5-10H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80958034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).