2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine

C11H19N3O — CID 116758404

IUPAC2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCCOC(C)(CC)C(N)c1cncnc1
InChIInChI=1S/C11H19N3O/c1-4-11(3,15-5-2)10(12)9-6-13-8-14-7-9/h6-8,10H,4-5,12H2,1-3H3
InChIKeyVUWCPMAVBFNZDT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.68
Rot. Bonds5

About 2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine

2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine (PubChem CID 116758404) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine
PubChem CID116758404
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCCOC(C)(CC)C(N)c1cncnc1
InChIInChI=1S/C11H19N3O/c1-4-11(3,15-5-2)10(12)9-6-13-8-14-7-9/h6-8,10H,4-5,12H2,1-3H3
InChIKeyVUWCPMAVBFNZDT-UHFFFAOYSA-N
XLogP1.68
TPSA61.03 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine
CID 116758508
2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
2-N,2-N,2-trimethyl-1-pyrimidin-5-ylbutane-1,2-diamine
CID 79064305
1-(3,4-diethoxyphenyl)-2-ethoxy-2-methylbutan-1-amine
CID 116758530
2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143828
2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 112744581
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661598
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
CID 116757462
2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine
CID 116758612
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661599
2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 63719075
2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 116752121

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine (CID 116758404) is 2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine is CCOC(C)(CC)C(N)c1cncnc1.
What is the InChIKey of 2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine?
The InChIKey is VUWCPMAVBFNZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-11(3,15-5-2)10(12)9-6-13-8-14-7-9/h6-8,10H,4-5,12H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine?
2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine is sourced from PubChem (CID 116758404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).