5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine

C14H25N3O — CID 80860590

IUPAC5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC(C)CC(C)C)c1C
InChIInChI=1S/C14H25N3O/c1-6-7-15-13-12(5)14(17-9-16-13)18-11(4)8-10(2)3/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeySDOYODDNJGQXDH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.42
Rot. Bonds7

About 5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine

5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine (PubChem CID 80860590) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
PubChem CID80860590
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC(C)CC(C)C)c1C
InChIInChI=1S/C14H25N3O/c1-6-7-15-13-12(5)14(17-9-16-13)18-11(4)8-10(2)3/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeySDOYODDNJGQXDH-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
CID 80866287
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989175
5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 106451474
5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine
CID 80989176
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
2-cyclopropyl-5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80988938
6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102989487
6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
CID 80882614
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine (CID 80860590) is 5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine is CCCNc1ncnc(OC(C)CC(C)C)c1C.
What is the InChIKey of 5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine?
The InChIKey is SDOYODDNJGQXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-7-15-13-12(5)14(17-9-16-13)18-11(4)8-10(2)3/h9-11H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine?
5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80860590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).