2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine

C14H25N3O3 — CID 70661909

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1cc(OC)nc(OC(CNC(C)C)C(C)C)n1
InChIInChI=1S/C14H25N3O3/c1-9(2)11(8-15-10(3)4)20-14-16-12(18-5)7-13(17-14)19-6/h7,9-11,15H,8H2,1-6H3
InChIKeyQFAUNGPZOQWGCH-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.90
Rot. Bonds8

About 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine

2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 70661909) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID70661909
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1cc(OC)nc(OC(CNC(C)C)C(C)C)n1
InChIInChI=1S/C14H25N3O3/c1-9(2)11(8-15-10(3)4)20-14-16-12(18-5)7-13(17-14)19-6/h7,9-11,15H,8H2,1-6H3
InChIKeyQFAUNGPZOQWGCH-UHFFFAOYSA-N
XLogP1.90
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine (CID 70661909) is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine is COc1cc(OC)nc(OC(CNC(C)C)C(C)C)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is QFAUNGPZOQWGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9(2)11(8-15-10(3)4)20-14-16-12(18-5)7-13(17-14)19-6/h7,9-11,15H,8H2,1-6H3.
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine?
2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 70661909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).