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

C11H19N3O — CID 103025012

IUPAC3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCNC(CC(C)(C)OC)c1cncnc1
InChIInChI=1S/C11H19N3O/c1-11(2,15-4)5-10(12-3)9-6-13-8-14-7-9/h6-8,10,12H,5H2,1-4H3
InChIKeyJOYQKVPLZNFNOA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.55
Rot. Bonds5

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

3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine (PubChem CID 103025012) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
PubChem CID103025012
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCNC(CC(C)(C)OC)c1cncnc1
InChIInChI=1S/C11H19N3O/c1-11(2,15-4)5-10(12-3)9-6-13-8-14-7-9/h6-8,10,12H,5H2,1-4H3
InChIKeyJOYQKVPLZNFNOA-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 103027120
4-methoxy-N-methyl-1-pyrimidin-5-ylpentan-1-amine
CID 105118804
4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
CID 105119199
(3,3-dimethyl-1-pyrimidin-5-ylbutyl)hydrazine
CID 105220229
N-methyl-1-pyrimidin-5-ylpentan-1-amine
CID 79405986
3-cyclopropyl-N-methyl-1-pyrimidin-5-ylpropan-1-amine
CID 102923524
1-(4-bromo-1-methylpyrazol-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029500
1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029479
2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 55078368
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103026386
N-methyl-1-pyrimidin-5-yl-2-(1,3-thiazol-2-yl)ethanamine
CID 102923665
1-N,2-N,2-N,2-tetramethyl-1-pyrimidin-5-ylpropane-1,2-diamine
CID 79053495

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine (CID 103025012) is 3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine is CNC(CC(C)(C)OC)c1cncnc1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine?
The InChIKey is JOYQKVPLZNFNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,15-4)5-10(12-3)9-6-13-8-14-7-9/h6-8,10,12H,5H2,1-4H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine?
3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine is sourced from PubChem (CID 103025012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).