6-butoxy-5-ethyl-N-methylpyrimidin-4-amine

C11H19N3O — CID 80866739

IUPAC6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCCCOc1ncnc(NC)c1CC
InChIInChI=1S/C11H19N3O/c1-4-6-7-15-11-9(5-2)10(12-3)13-8-14-11/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyGHRCSUDHZRMAHH-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.26
Rot. Bonds6

About 6-butoxy-5-ethyl-N-methylpyrimidin-4-amine

6-butoxy-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80866739) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-butoxy-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID80866739
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCCCOc1ncnc(NC)c1CC
InChIInChI=1S/C11H19N3O/c1-4-6-7-15-11-9(5-2)10(12-3)13-8-14-11/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyGHRCSUDHZRMAHH-UHFFFAOYSA-N
XLogP2.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
CID 112590958
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
CID 80910142
5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
CID 80877734
N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
CID 80876335
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
5-ethyl-6-[(4-methoxyphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 80867429
N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine
CID 80858342
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
6-[2-(diethylamino)ethoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80871006

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-butoxy-5-ethyl-N-methylpyrimidin-4-amine (CID 80866739) is 6-butoxy-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-butoxy-5-ethyl-N-methylpyrimidin-4-amine is CCCCOc1ncnc(NC)c1CC.
What is the InChIKey of 6-butoxy-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is GHRCSUDHZRMAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-6-7-15-11-9(5-2)10(12-3)13-8-14-11/h8H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of 6-butoxy-5-ethyl-N-methylpyrimidin-4-amine?
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 209.29 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80866739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).