5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine

C14H25N3O2 — CID 106451474

IUPAC5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCOCC(C)C)c1C
InChIInChI=1S/C14H25N3O2/c1-5-6-15-13-12(4)14(17-10-16-13)19-8-7-18-9-11(2)3/h10-11H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyRQPUPTLLJBUXRJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.66
Rot. Bonds9

About 5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine

5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine (PubChem CID 106451474) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine
PubChem CID106451474
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCOCC(C)C)c1C
InChIInChI=1S/C14H25N3O2/c1-5-6-15-13-12(4)14(17-10-16-13)19-8-7-18-9-11(2)3/h10-11H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyRQPUPTLLJBUXRJ-UHFFFAOYSA-N
XLogP2.66
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80860590
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
CID 80866287
N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 104568195
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 104568305
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
CID 106451466
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014837
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine (CID 106451474) is 5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine is CCCNc1ncnc(OCCOCC(C)C)c1C.
What is the InChIKey of 5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine?
The InChIKey is RQPUPTLLJBUXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-6-15-13-12(4)14(17-10-16-13)19-8-7-18-9-11(2)3/h10-11H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine?
5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine has a molecular weight of 267.37 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106451474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).