5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine

C16H22N4 — CID 10945514

IUPAC5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N4/c1-5-12-13(14(17)20-15(18)19-12)10-6-8-11(9-7-10)16(2,3)4/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
InChIKeyFIUYJLCASFMHJV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.17
Rot. Bonds2

About 5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine

5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine (PubChem CID 10945514) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine
PubChem CID10945514
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N4/c1-5-12-13(14(17)20-15(18)19-12)10-6-8-11(9-7-10)16(2,3)4/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
InChIKeyFIUYJLCASFMHJV-UHFFFAOYSA-N
XLogP3.17
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine (CID 10945514) is 5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine?
The InChIKey is FIUYJLCASFMHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-12-13(14(17)20-15(18)19-12)10-6-8-11(9-7-10)16(2,3)4/h6-9H,5H2,1-4H3,(H4,17,18,19,20).
What are the key properties of 5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine?
5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 10945514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).