(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine

C13H24N4O — CID 80910142

IUPAC(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
SMILESCCCCCCCOc1ncnc(NN)c1CC
InChIInChI=1S/C13H24N4O/c1-3-5-6-7-8-9-18-13-11(4-2)12(17-14)15-10-16-13/h10H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeyNWQFPOKBRIGVFV-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.67
Rot. Bonds9

About (5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine

(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine (PubChem CID 80910142) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
PubChem CID80910142
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
SMILESCCCCCCCOc1ncnc(NN)c1CC
InChIInChI=1S/C13H24N4O/c1-3-5-6-7-8-9-18-13-11(4-2)12(17-14)15-10-16-13/h10H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeyNWQFPOKBRIGVFV-UHFFFAOYSA-N
XLogP2.67
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
CID 82795276
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
4-chloro-5-ethyl-6-pentoxypyrimidine
CID 63735031
[5-ethyl-6-(3-methylbutan-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80922712
(6-cyclohexyloxy-5-ethylpyrimidin-4-yl)hydrazine
CID 80910051
(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766209
[6-[(4-chlorophenyl)methoxy]-5-ethylpyrimidin-4-yl]hydrazine
CID 80922291
(2-ethyl-6-hexoxy-5-methylpyrimidin-4-yl)hydrazine
CID 81000285
[5-ethyl-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]hydrazine
CID 80913387
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine?
The IUPAC name of (5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine (CID 80910142) is (5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine.
What is the SMILES notation for (5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine?
The canonical SMILES for (5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine is CCCCCCCOc1ncnc(NN)c1CC.
What is the InChIKey of (5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine?
The InChIKey is NWQFPOKBRIGVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-6-7-8-9-18-13-11(4-2)12(17-14)15-10-16-13/h10H,3-9,14H2,1-2H3,(H,15,16,17).
What are the key properties of (5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine?
(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine has a molecular weight of 252.36 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80910142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).