4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

C16H23N5 — CID 115379613

IUPAC4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2cccc(N(C)C)c2)n1
InChIInChI=1S/C16H23N5/c1-6-14-19-15(17-3)11(2)16(20-14)18-12-8-7-9-13(10-12)21(4)5/h7-10H,6H2,1-5H3,(H2,17,18,19,20)
InChIKeyLYRRQQLKUNHKOA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.20
Rot. Bonds5

About 4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 115379613) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID115379613
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2cccc(N(C)C)c2)n1
InChIInChI=1S/C16H23N5/c1-6-14-19-15(17-3)11(2)16(20-14)18-12-8-7-9-13(10-12)21(4)5/h7-10H,6H2,1-5H3,(H2,17,18,19,20)
InChIKeyLYRRQQLKUNHKOA-UHFFFAOYSA-N
XLogP3.20
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (CID 115379613) is 4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(Nc2cccc(N(C)C)c2)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is LYRRQQLKUNHKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-6-14-19-15(17-3)11(2)16(20-14)18-12-8-7-9-13(10-12)21(4)5/h7-10H,6H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 115379613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).