6-heptoxy-2-methyl-N-propylpyrimidin-4-amine

C15H27N3O — CID 80862052

IUPAC6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCCCCCOc1cc(NCCC)nc(C)n1
InChIInChI=1S/C15H27N3O/c1-4-6-7-8-9-11-19-15-12-14(16-10-5-2)17-13(3)18-15/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyCNDBFGWBTAVXAE-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.96
Rot. Bonds10

About 6-heptoxy-2-methyl-N-propylpyrimidin-4-amine

6-heptoxy-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 80862052) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-heptoxy-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
PubChem CID80862052
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCCCCCOc1cc(NCCC)nc(C)n1
InChIInChI=1S/C15H27N3O/c1-4-6-7-8-9-11-19-15-12-14(16-10-5-2)17-13(3)18-15/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyCNDBFGWBTAVXAE-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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

2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82959220
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 114158202
6-methoxy-2-methyl-N-octylpyrimidin-4-amine
CID 113337456
N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454010
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
6-cyclobutyloxy-2-methyl-N-propylpyrimidin-4-amine
CID 80873247
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123

Frequently Asked Questions

What is the IUPAC name of 6-heptoxy-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-heptoxy-2-methyl-N-propylpyrimidin-4-amine (CID 80862052) is 6-heptoxy-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-heptoxy-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-heptoxy-2-methyl-N-propylpyrimidin-4-amine is CCCCCCCOc1cc(NCCC)nc(C)n1.
What is the InChIKey of 6-heptoxy-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is CNDBFGWBTAVXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-6-7-8-9-11-19-15-12-14(16-10-5-2)17-13(3)18-15/h12H,4-11H2,1-3H3,(H,16,17,18).
What are the key properties of 6-heptoxy-2-methyl-N-propylpyrimidin-4-amine?
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptoxy-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80862052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).