4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine

C11H19N3O — CID 105119199

IUPAC4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCNC(CC(C)COC)c1cncnc1
InChIInChI=1S/C11H19N3O/c1-9(7-15-3)4-11(12-2)10-5-13-8-14-6-10/h5-6,8-9,11-12H,4,7H2,1-3H3
InChIKeyJFXFZDKKLSFWEE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.41
Rot. Bonds6

About 4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine

4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine (PubChem CID 105119199) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
PubChem CID105119199
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCNC(CC(C)COC)c1cncnc1
InChIInChI=1S/C11H19N3O/c1-9(7-15-3)4-11(12-2)10-5-13-8-14-6-10/h5-6,8-9,11-12H,4,7H2,1-3H3
InChIKeyJFXFZDKKLSFWEE-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-1-pyrimidin-5-ylbutan-1-ol
CID 105083775
4-methoxy-N-methyl-1-pyrimidin-5-ylpentan-1-amine
CID 105118804
3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
CID 103025012
4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 105144752
1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 107562065
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105183990
N-methyl-1-pyrimidin-5-ylpentan-1-amine
CID 79405986
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methoxy-N,3-dimethylbutan-1-amine
CID 105183405
(2-propan-2-yloxy-1-pyrimidin-5-ylethyl)hydrazine
CID 105292061
1-(5-fluoro-3-pyridinyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105102311
3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine
CID 177219676
3-cyclopropyl-N-methyl-1-pyrimidin-5-ylpropan-1-amine
CID 102923524

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine?
The IUPAC name of 4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine (CID 105119199) is 4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine.
What is the SMILES notation for 4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine?
The canonical SMILES for 4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine is CNC(CC(C)COC)c1cncnc1.
What is the InChIKey of 4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine?
The InChIKey is JFXFZDKKLSFWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(7-15-3)4-11(12-2)10-5-13-8-14-6-10/h5-6,8-9,11-12H,4,7H2,1-3H3.
What are the key properties of 4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine?
4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine is sourced from PubChem (CID 105119199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).