N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

C11H21N5O — CID 80903690

IUPACN-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCCCOCCNc1ncnc(NN)c1C
InChIInChI=1S/C11H21N5O/c1-3-4-6-17-7-5-13-10-9(2)11(16-12)15-8-14-10/h8H,3-7,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyGBRGETJOMFMRRI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.30
Rot. Bonds8

About N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80903690) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80903690
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCCCOCCNc1ncnc(NN)c1C
InChIInChI=1S/C11H21N5O/c1-3-4-6-17-7-5-13-10-9(2)11(16-12)15-8-14-10/h8H,3-7,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyGBRGETJOMFMRRI-UHFFFAOYSA-N
XLogP1.30
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(3-ethoxypropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80943910
N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006057
N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007682
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80943609
2-[2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825941
N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729398
ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate
CID 80915942
2-[2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 80918817
N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121460
6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82943748
N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043625

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 80903690) is N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is CCCCOCCNc1ncnc(NN)c1C.
What is the InChIKey of N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is GBRGETJOMFMRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-4-6-17-7-5-13-10-9(2)11(16-12)15-8-14-10/h8H,3-7,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80903690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).