4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine

C15H20N4 — CID 80816371

IUPAC4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
SMILESCCc1ccc(N(C)c2cc(NC)nc(C)n2)cc1
InChIInChI=1S/C15H20N4/c1-5-12-6-8-13(9-7-12)19(4)15-10-14(16-3)17-11(2)18-15/h6-10H,5H2,1-4H3,(H,16,17,18)
InChIKeySIWOPJVWDCTWRN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.16
Rot. Bonds4

About 4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine

4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine (PubChem CID 80816371) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
PubChem CID80816371
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
SMILESCCc1ccc(N(C)c2cc(NC)nc(C)n2)cc1
InChIInChI=1S/C15H20N4/c1-5-12-6-8-13(9-7-12)19(4)15-10-14(16-3)17-11(2)18-15/h6-10H,5H2,1-4H3,(H,16,17,18)
InChIKeySIWOPJVWDCTWRN-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine (CID 80816371) is 4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine is CCc1ccc(N(C)c2cc(NC)nc(C)n2)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The InChIKey is SIWOPJVWDCTWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-5-12-6-8-13(9-7-12)19(4)15-10-14(16-3)17-11(2)18-15/h6-10H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80816371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).