6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine

C15H27N3O — CID 80882614

IUPAC6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC(C)C(C)C)c1CCC
InChIInChI=1S/C15H27N3O/c1-6-8-13-14(16-9-7-2)17-10-18-15(13)19-12(5)11(3)4/h10-12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyIRCHWPRHNUQCNF-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.67
Rot. Bonds8

About 6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine

6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine (PubChem CID 80882614) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
PubChem CID80882614
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC(C)C(C)C)c1CCC
InChIInChI=1S/C15H27N3O/c1-6-8-13-14(16-9-7-2)17-10-18-15(13)19-12(5)11(3)4/h10-12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyIRCHWPRHNUQCNF-UHFFFAOYSA-N
XLogP3.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine
CID 80882277
N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80883020
[5-ethyl-6-(3-methylbutan-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80922712
6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
CID 80866287
6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine
CID 114471081
6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine
CID 106669014
5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80860590
6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102989487
(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848746
N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine
CID 80862141
6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
CID 106207776
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine (CID 80882614) is 6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(OC(C)C(C)C)c1CCC.
What is the InChIKey of 6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is IRCHWPRHNUQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-8-13-14(16-9-7-2)17-10-18-15(13)19-12(5)11(3)4/h10-12H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine?
6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80882614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).