4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine

C17H24N4 — CID 80827484

IUPAC4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCCCN(c1ccccc1)c1ncnc(NC)c1CC
InChIInChI=1S/C17H24N4/c1-4-6-12-21(14-10-8-7-9-11-14)17-15(5-2)16(18-3)19-13-20-17/h7-11,13H,4-6,12H2,1-3H3,(H,18,19,20)
InChIKeyWNBWIAXDZVYBFS-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.02
Rot. Bonds7

About 4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine

4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 80827484) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID80827484
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCCCN(c1ccccc1)c1ncnc(NC)c1CC
InChIInChI=1S/C17H24N4/c1-4-6-12-21(14-10-8-7-9-11-14)17-15(5-2)16(18-3)19-13-20-17/h7-11,13H,4-6,12H2,1-3H3,(H,18,19,20)
InChIKeyWNBWIAXDZVYBFS-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80810727
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80815897
4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 80844969
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-propylamino]-N-methylacetamide
CID 80806342
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80779291
5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine
CID 143274500
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80778733
3-(N-butylanilino)pyrazine-2-carboxylic acid
CID 64584671

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine (CID 80827484) is 4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine is CCCCN(c1ccccc1)c1ncnc(NC)c1CC.
What is the InChIKey of 4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is WNBWIAXDZVYBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-6-12-21(14-10-8-7-9-11-14)17-15(5-2)16(18-3)19-13-20-17/h7-11,13H,4-6,12H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 80827484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).