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

C16H22N4 — CID 44532041

IUPAC5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine
SMILESCCCCc1ccc(-c2c(N)nc(N)nc2CC)cc1
InChIInChI=1S/C16H22N4/c1-3-5-6-11-7-9-12(10-8-11)14-13(4-2)19-16(18)20-15(14)17/h7-10H,3-6H2,1-2H3,(H4,17,18,19,20)
InChIKeyIIYIXDYTFYKMFZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.21
Rot. Bonds5

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

5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine (PubChem CID 44532041) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine
PubChem CID44532041
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine
SMILESCCCCc1ccc(-c2c(N)nc(N)nc2CC)cc1
InChIInChI=1S/C16H22N4/c1-3-5-6-11-7-9-12(10-8-11)14-13(4-2)19-16(18)20-15(14)17/h7-10H,3-6H2,1-2H3,(H4,17,18,19,20)
InChIKeyIIYIXDYTFYKMFZ-UHFFFAOYSA-N
XLogP3.21
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine (CID 44532041) is 5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine is CCCCc1ccc(-c2c(N)nc(N)nc2CC)cc1.
What is the InChIKey of 5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine?
The InChIKey is IIYIXDYTFYKMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-5-6-11-7-9-12(10-8-11)14-13(4-2)19-16(18)20-15(14)17/h7-10H,3-6H2,1-2H3,(H4,17,18,19,20).
What are the key properties of 5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine?
5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 44532041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).