6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine

C15H27N3O — CID 106026606

IUPAC6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine
SMILESCCCCC(CCC)Nc1cc(OCC)nc(C)n1
InChIInChI=1S/C15H27N3O/c1-5-8-10-13(9-6-2)18-14-11-15(19-7-3)17-12(4)16-14/h11,13H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyYPDDIICPELSKTL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.95
Rot. Bonds9

About 6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine

6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine (PubChem CID 106026606) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine
PubChem CID106026606
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine
SMILESCCCCC(CCC)Nc1cc(OCC)nc(C)n1
InChIInChI=1S/C15H27N3O/c1-5-8-10-13(9-6-2)18-14-11-15(19-7-3)17-12(4)16-14/h11,13H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyYPDDIICPELSKTL-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028897
N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66331918
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 106154692
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 66325658
2-methyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 137000531
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851
2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028873
6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 66325292
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028697
6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 66326077

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine (CID 106026606) is 6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine is CCCCC(CCC)Nc1cc(OCC)nc(C)n1.
What is the InChIKey of 6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine?
The InChIKey is YPDDIICPELSKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-8-10-13(9-6-2)18-14-11-15(19-7-3)17-12(4)16-14/h11,13H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine?
6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine is sourced from PubChem (CID 106026606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).