2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine

C13H19N5O — CID 80914929

IUPAC2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine
SMILESCOCCC(C)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H19N5O/c1-9(7-8-19-2)15-12-10-5-3-4-6-11(10)16-13(17-12)18-14/h3-6,9H,7-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMYFRYVAENMFGFF-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.75
Rot. Bonds6

About 2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine

2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine (PubChem CID 80914929) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine
PubChem CID80914929
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine
SMILESCOCCC(C)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H19N5O/c1-9(7-8-19-2)15-12-10-5-3-4-6-11(10)16-13(17-12)18-14/h3-6,9H,7-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMYFRYVAENMFGFF-UHFFFAOYSA-N
XLogP1.75
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
N-(1-ethoxypropan-2-yl)-2-hydrazinylquinazolin-4-amine
CID 80902618
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847
4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine
CID 80786241
1-N,1-N-diethyl-2-N-(2-hydrazinylquinazolin-4-yl)propane-1,2-diamine
CID 80902005
2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine
CID 80915950
4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine
CID 80786097
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804
5-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 80915239
2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine
CID 102908996
N-(2,3-dimethylbutyl)-2-hydrazinylquinazolin-4-amine
CID 80917863
3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
CID 83179969

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine (CID 80914929) is 2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine is COCCC(C)Nc1nc(NN)nc2ccccc12.
What is the InChIKey of 2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine?
The InChIKey is MYFRYVAENMFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(7-8-19-2)15-12-10-5-3-4-6-11(10)16-13(17-12)18-14/h3-6,9H,7-8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine?
2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 80914929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).