6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine

C16H29N3O2 — CID 106669014

IUPAC6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCC(C)(C)OC)c1CCC
InChIInChI=1S/C16H29N3O2/c1-6-8-13-14(17-10-7-2)18-12-19-15(13)21-11-9-16(3,4)20-5/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyUPLQCLMULXWWMZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.44
Rot. Bonds10

About 6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine

6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine (PubChem CID 106669014) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine
PubChem CID106669014
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCC(C)(C)OC)c1CCC
InChIInChI=1S/C16H29N3O2/c1-6-8-13-14(17-10-7-2)18-12-19-15(13)21-11-9-16(3,4)20-5/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyUPLQCLMULXWWMZ-UHFFFAOYSA-N
XLogP3.44
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
CID 106207776
6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine
CID 114471081
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971
5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794819
4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine
CID 106664845
6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
CID 80882614
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 114944683
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
5-ethyl-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyrimidin-4-amine
CID 103408222

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine (CID 106669014) is 6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(OCCC(C)(C)OC)c1CCC.
What is the InChIKey of 6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is UPLQCLMULXWWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-8-13-14(17-10-7-2)18-12-19-15(13)21-11-9-16(3,4)20-5/h12H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine?
6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 295.43 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 106669014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).