6-heptoxy-N-methyl-5-propylpyrimidin-4-amine

C15H27N3O — CID 80861395

IUPAC6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCCCCCOc1ncnc(NC)c1CCC
InChIInChI=1S/C15H27N3O/c1-4-6-7-8-9-11-19-15-13(10-5-2)14(16-3)17-12-18-15/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyRQJWSTFNUWKBHB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.82
Rot. Bonds10

About 6-heptoxy-N-methyl-5-propylpyrimidin-4-amine

6-heptoxy-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 80861395) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-heptoxy-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
PubChem CID80861395
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCCCCCOc1ncnc(NC)c1CCC
InChIInChI=1S/C15H27N3O/c1-4-6-7-8-9-11-19-15-13(10-5-2)14(16-3)17-12-18-15/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyRQJWSTFNUWKBHB-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
CID 80876335
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine
CID 80858342
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
6-[2-(diethylamino)ethoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80871006
N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine
CID 80862141
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
N-methyl-6-(2-piperidin-1-ylethoxy)-5-propylpyrimidin-4-amine
CID 80870502
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
CID 80910142
6-heptoxy-N-methyl-5-nitropyrimidin-4-amine
CID 80861777
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264

Frequently Asked Questions

What is the IUPAC name of 6-heptoxy-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-heptoxy-N-methyl-5-propylpyrimidin-4-amine (CID 80861395) is 6-heptoxy-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-heptoxy-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-heptoxy-N-methyl-5-propylpyrimidin-4-amine is CCCCCCCOc1ncnc(NC)c1CCC.
What is the InChIKey of 6-heptoxy-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is RQJWSTFNUWKBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-6-7-8-9-11-19-15-13(10-5-2)14(16-3)17-12-18-15/h12H,4-11H2,1-3H3,(H,16,17,18).
What are the key properties of 6-heptoxy-N-methyl-5-propylpyrimidin-4-amine?
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptoxy-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80861395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).