N,5-diethyl-6-heptoxypyrimidin-4-amine

C15H27N3O — CID 80862239

IUPACN,5-diethyl-6-heptoxypyrimidin-4-amine
SMILESCCCCCCCOc1ncnc(NCC)c1CC
InChIInChI=1S/C15H27N3O/c1-4-7-8-9-10-11-19-15-13(5-2)14(16-6-3)17-12-18-15/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyPSLDQVFALNZEHB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.82
Rot. Bonds10

About N,5-diethyl-6-heptoxypyrimidin-4-amine

N,5-diethyl-6-heptoxypyrimidin-4-amine (PubChem CID 80862239) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N,5-diethyl-6-heptoxypyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-heptoxypyrimidin-4-amine
PubChem CID80862239
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN,5-diethyl-6-heptoxypyrimidin-4-amine
SMILESCCCCCCCOc1ncnc(NCC)c1CC
InChIInChI=1S/C15H27N3O/c1-4-7-8-9-10-11-19-15-13(5-2)14(16-6-3)17-12-18-15/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyPSLDQVFALNZEHB-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

(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
CID 80910142
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 104568314
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
6-(2-cyclopropylethoxy)-N,5-diethylpyrimidin-4-amine
CID 106207529
4-chloro-5-ethyl-6-pentoxypyrimidine
CID 63735031
6-[(E)-but-2-enoxy]-N,5-diethylpyrimidin-4-amine
CID 80872166
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
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine
CID 80877477

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-heptoxypyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-heptoxypyrimidin-4-amine (CID 80862239) is N,5-diethyl-6-heptoxypyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-heptoxypyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-heptoxypyrimidin-4-amine is CCCCCCCOc1ncnc(NCC)c1CC.
What is the InChIKey of N,5-diethyl-6-heptoxypyrimidin-4-amine?
The InChIKey is PSLDQVFALNZEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-7-8-9-10-11-19-15-13(5-2)14(16-6-3)17-12-18-15/h12H,4-11H2,1-3H3,(H,16,17,18).
What are the key properties of N,5-diethyl-6-heptoxypyrimidin-4-amine?
N,5-diethyl-6-heptoxypyrimidin-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 N,5-diethyl-6-heptoxypyrimidin-4-amine is sourced from PubChem (CID 80862239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).