4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine

C16H22N4 — CID 72889445

IUPAC4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H22N4/c1-5-13-9-18-16(17)20-15(13)19-12(4)14-7-6-10(2)11(3)8-14/h6-9,12H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyVSRJOALKCJOYBN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.41
Rot. Bonds4

About 4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine

4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine (PubChem CID 72889445) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine
PubChem CID72889445
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H22N4/c1-5-13-9-18-16(17)20-15(13)19-12(4)14-7-6-10(2)11(3)8-14/h6-9,12H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyVSRJOALKCJOYBN-UHFFFAOYSA-N
XLogP3.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine (CID 72889445) is 4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine is CCc1cnc(N)nc1NC(C)c1ccc(C)c(C)c1.
What is the InChIKey of 4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine?
The InChIKey is VSRJOALKCJOYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-13-9-18-16(17)20-15(13)19-12(4)14-7-6-10(2)11(3)8-14/h6-9,12H,5H2,1-4H3,(H3,17,18,19,20).
What are the key properties of 4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine?
4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3,4-dimethylphenyl)ethyl]-5-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 72889445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).